4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

C70H49Br2ClN8O7S4 — CID 160739133

About 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (PubChem CID 160739133) has the molecular formula C70H49Br2ClN8O7S4 and a molecular weight of 1437.74 g/mol. Its IUPAC name is 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
• PubChem CID: 160739133
• Molecular Formula: C70H49Br2ClN8O7S4
• Molecular Weight: 1437.74 g/mol
• Exact Mass: 1434.07
• IUPAC Name: 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
• SMILES: COc1ccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)cc1.Cc1ccc2c(c1)C(=O)C1=C2NC(=S)NC1c1cc(O)ccc1Br.O=C1C2=C(NC(=S)NC2c2cc(O)ccc2Br)c2ccc(Cl)cc21.O=C1C2=C(NC(=S)NC2c2ccccc2)c2ccccc21
• InChI: InChI=1S/C18H13BrN2O2S.C18H14N2O2S.C17H10BrClN2O2S.C17H12N2OS/c1-8-2-4-10-11(6-8)17(23)14-15(10)20-18(24)21-16(14)12-7-9(22)3-5-13(12)19;1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(12)17(14)21;18-12-4-2-8(22)6-11(12)15-13-14(20-17(24)21-15)9-3-1-7(19)5-10(9)16(13)23;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/h2-7,16,22H,1H3,(H2,20,21,24);2-9,15H,1H3,(H2,19,20,23);1-6,15,22H,(H2,20,21,24);1-9,14H,(H2,18,19,21)
• InChIKey: RVIMYIVGASSGNG-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 214.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1437.74
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

The IUPAC name of 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (CID 160739133) is 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.

What is the SMILES notation for 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

The canonical SMILES for 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is COc1ccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)cc1.Cc1ccc2c(c1)C(=O)C1=C2NC(=S)NC1c1cc(O)ccc1Br.O=C1C2=C(NC(=S)NC2c2cc(O)ccc2Br)c2ccc(Cl)cc21.O=C1C2=C(NC(=S)NC2c2ccccc2)c2ccccc21.

What is the InChIKey of 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

The InChIKey is RVIMYIVGASSGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2S.C18H14N2O2S.C17H10BrClN2O2S.C17H12N2OS/c1-8-2-4-10-11(6-8)17(23)14-15(10)20-18(24)21-16(14)12-7-9(22)3-5-13(12)19;1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(12)17(14)21;18-12-4-2-8(22)6-11(12)15-13-14(20-17(24)21-15)9-3-1-7(19)5-10(9)16(13)23;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/h2-7,16,22H,1H3,(H2,20,21,24);2-9,15H,1H3,(H2,19,20,23);1-6,15,22H,(H2,20,21,24);1-9,14H,(H2,18,19,21).

What are the key properties of 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one has a molecular weight of 1437.74 g/mol, XLogP of 13.16, 5 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bromo-5-hydroxyphenyl)-7-chloro-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(2-bromo-5-hydroxyphenyl)-7-methyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one;4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 160739133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).