4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
C186H132F2N34O12S16 — CID 158589743
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
SMILESCc1ncc(C2NC(=S)NC3=C2C(=O)c2ccccc23)[nH]1.Cn1cccc1C1NC(=S)NC2=C1C(=O)c1ccccc12.O=C1C2=C(NC(=S)CN2c2ccccc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ccc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccc(OC(F)F)c2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccnc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccs2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ccsc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cnc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ncc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2nccs2)c2ccccc21.S=C1NC2=C(C(=S)c3ccccc32)C(c2ccccc2)N1
InChIInChI=1S/C18H12F2N2O2S.C17H12N2OS.C17H12N2S2.C16H13N3OS.C16H11N3OS.C15H12N4OS.C15H11N3OS.2C15H10N2OS2.2C14H10N4OS.C14H9N3OS2/c19-17(20)24-10-5-3-4-9(8-10)14-13-15(22-18(25)21-14)11-6-1-2-7-12(11)16(13)23;20-17-13-9-5-4-8-12(13)15-16(17)19(10-14(21)18-15)11-6-2-1-3-7-11;20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10;1-19-8-4-7-11(19)14-12-13(17-16(21)18-14)9-5-2-3-6-10(9)15(12)20;20-15-11-6-2-1-5-10(11)14-12(15)13(18-16(21)19-14)9-4-3-7-17-8-9;1-7-16-6-10(17-7)13-11-12(18-15(21)19-13)8-4-2-3-5-9(8)14(11)20;19-14-9-5-2-1-4-8(9)12-11(14)13(18-15(20)17-12)10-6-3-7-16-10;18-14-9-5-2-1-4-8(9)12-11(14)13(17-15(19)16-12)10-6-3-7-20-10;18-14-10-4-2-1-3-9(10)13-11(14)12(16-15(19)17-13)8-5-6-20-7-8;19-13-8-4-2-1-3-7(8)11-10(13)12(18-14(20)17-11)9-5-15-6-16-9;19-12-8-4-2-1-3-7(8)10-9(12)11(18-14(20)17-10)13-15-5-6-16-13;18-12-8-4-2-1-3-7(8)10-9(12)11(17-14(19)16-10)13-15-5-6-20-13/h1-8,14,17H,(H2,21,22,25);1-9H,10H2,(H,18,21);1-9,14H,(H2,18,19,21);2-8,14H,1H3,(H2,17,18,21);1-8,13H,(H2,18,19,21);2-6,13H,1H3,(H,16,17)(H2,18,19,21);1-7,13,16H,(H2,17,18,20);1-7,13H,(H2,16,17,19);1-7,12H,(H2,16,17,19);1-6,12H,(H,15,16)(H2,17,18,20);1-6,11H,(H,15,16)(H2,17,18,20);1-6,11H,(H2,16,17,19)
InChIKeyHUHKCGSZMBHCII-UHFFFAOYSA-N
MW3586.40 g/mol
LogP29.19
Rot. Bonds14
About 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (PubChem CID 158589743) has the molecular formula C186H132F2N34O12S16 and a molecular weight of 3586.40 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.
Molecular Properties
| Compound Name | 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one |
|---|---|
| PubChem CID | 158589743 |
| Molecular Formula | C186H132F2N34O12S16 |
| Molecular Weight | 3586.40 g/mol |
| Exact Mass | 3582.63 |
| IUPAC Name | 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one |
| SMILES | Cc1ncc(C2NC(=S)NC3=C2C(=O)c2ccccc23)[nH]1.Cn1cccc1C1NC(=S)NC2=C1C(=O)c1ccccc12.O=C1C2=C(NC(=S)CN2c2ccccc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ccc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccc(OC(F)F)c2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccnc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccs2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ccsc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cnc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ncc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2nccs2)c2ccccc21.S=C1NC2=C(C(=S)c3ccccc32)C(c2ccccc2)N1 |
| InChI | InChI=1S/C18H12F2N2O2S.C17H12N2OS.C17H12N2S2.C16H13N3OS.C16H11N3OS.C15H12N4OS.C15H11N3OS.2C15H10N2OS2.2C14H10N4OS.C14H9N3OS2/c19-17(20)24-10-5-3-4-9(8-10)14-13-15(22-18(25)21-14)11-6-1-2-7-12(11)16(13)23;20-17-13-9-5-4-8-12(13)15-16(17)19(10-14(21)18-15)11-6-2-1-3-7-11;20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10;1-19-8-4-7-11(19)14-12-13(17-16(21)18-14)9-5-2-3-6-10(9)15(12)20;20-15-11-6-2-1-5-10(11)14-12(15)13(18-16(21)19-14)9-4-3-7-17-8-9;1-7-16-6-10(17-7)13-11-12(18-15(21)19-13)8-4-2-3-5-9(8)14(11)20;19-14-9-5-2-1-4-8(9)12-11(14)13(18-15(20)17-12)10-6-3-7-16-10;18-14-9-5-2-1-4-8(9)12-11(14)13(17-15(19)16-12)10-6-3-7-20-10;18-14-10-4-2-1-3-9(10)13-11(14)12(16-15(19)17-13)8-5-6-20-7-8;19-13-8-4-2-1-3-7(8)11-10(13)12(18-14(20)17-11)9-5-15-6-16-9;19-12-8-4-2-1-3-7(8)10-9(12)11(18-14(20)17-10)13-15-5-6-16-13;18-12-8-4-2-1-3-7(8)10-9(12)11(17-14(19)16-10)13-15-5-6-20-13/h1-8,14,17H,(H2,21,22,25);1-9H,10H2,(H,18,21);1-9,14H,(H2,18,19,21);2-8,14H,1H3,(H2,17,18,21);1-8,13H,(H2,18,19,21);2-6,13H,1H3,(H,16,17)(H2,18,19,21);1-7,13,16H,(H2,17,18,20);1-7,13H,(H2,16,17,19);1-7,12H,(H2,16,17,19);1-6,12H,(H,15,16)(H2,17,18,20);1-6,11H,(H,15,16)(H2,17,18,20);1-6,11H,(H2,16,17,19) |
| InChIKey | HUHKCGSZMBHCII-UHFFFAOYSA-N |
| XLogP | 29.19 |
| TPSA | 609.47 Ų |
| H-Bond Donors | 27 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 250 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3586.40 |
| LogP ≤ 5 | 29.19 |
| H-Bond Donors ≤ 5 | 27 |
| H-Bond Acceptors ≤ 10 | 35 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (CID 158589743) is 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is Cc1ncc(C2NC(=S)NC3=C2C(=O)c2ccccc23)[nH]1.Cn1cccc1C1NC(=S)NC2=C1C(=O)c1ccccc12.O=C1C2=C(NC(=S)CN2c2ccccc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ccc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccc(OC(F)F)c2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccnc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cccs2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ccsc2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2cnc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2ncc[nH]2)c2ccccc21.O=C1C2=C(NC(=S)NC2c2nccs2)c2ccccc21.S=C1NC2=C(C(=S)c3ccccc32)C(c2ccccc2)N1.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The InChIKey is HUHKCGSZMBHCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2S.C17H12N2OS.C17H12N2S2.C16H13N3OS.C16H11N3OS.C15H12N4OS.C15H11N3OS.2C15H10N2OS2.2C14H10N4OS.C14H9N3OS2/c19-17(20)24-10-5-3-4-9(8-10)14-13-15(22-18(25)21-14)11-6-1-2-7-12(11)16(13)23;20-17-13-9-5-4-8-12(13)15-16(17)19(10-14(21)18-15)11-6-2-1-3-7-11;20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10;1-19-8-4-7-11(19)14-12-13(17-16(21)18-14)9-5-2-3-6-10(9)15(12)20;20-15-11-6-2-1-5-10(11)14-12(15)13(18-16(21)19-14)9-4-3-7-17-8-9;1-7-16-6-10(17-7)13-11-12(18-15(21)19-13)8-4-2-3-5-9(8)14(11)20;19-14-9-5-2-1-4-8(9)12-11(14)13(18-15(20)17-12)10-6-3-7-16-10;18-14-9-5-2-1-4-8(9)12-11(14)13(17-15(19)16-12)10-6-3-7-20-10;18-14-10-4-2-1-3-9(10)13-11(14)12(16-15(19)17-13)8-5-6-20-7-8;19-13-8-4-2-1-3-7(8)11-10(13)12(18-14(20)17-11)9-5-15-6-16-9;19-12-8-4-2-1-3-7(8)10-9(12)11(18-14(20)17-10)13-15-5-6-16-13;18-12-8-4-2-1-3-7(8)10-9(12)11(17-14(19)16-10)13-15-5-6-20-13/h1-8,14,17H,(H2,21,22,25);1-9H,10H2,(H,18,21);1-9,14H,(H2,18,19,21);2-8,14H,1H3,(H2,17,18,21);1-8,13H,(H2,18,19,21);2-6,13H,1H3,(H,16,17)(H2,18,19,21);1-7,13,16H,(H2,17,18,20);1-7,13H,(H2,16,17,19);1-7,12H,(H2,16,17,19);1-6,12H,(H,15,16)(H2,17,18,20);1-6,11H,(H,15,16)(H2,17,18,20);1-6,11H,(H2,16,17,19).
What are the key properties of 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one has a molecular weight of 3586.40 g/mol, XLogP of 29.19, 14 rotatable bonds, 27 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-methyl-1H-imidazol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1-methylpyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dithione;1-phenyl-3-sulfanylidene-2,4-dihydroindeno[1,2-b]pyrazin-9-one;4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 158589743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158589743 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.