tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one

C101H121N29O17S19 — CID 165070204

About tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one

tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 165070204) has the molecular formula C101H121N29O17S19 and a molecular weight of 2622.54 g/mol. Its IUPAC name is tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
• PubChem CID: 165070204
• Molecular Formula: C101H121N29O17S19
• Molecular Weight: 2622.54 g/mol
• Exact Mass: 2619.42
• IUPAC Name: tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
• SMILES: CC(=O)CCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CC(C)(C)OC(=O)CCCSC1=Nc2[nH]c(=S)[nH]c(=S)c2C1.CCCCn1cnc2[nH]c(=S)[nH]c(=O)c21.CCCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CCOC(=O)CCCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CCOC(=O)CCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CCOC(=O)CSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.Cc1ccc(CSC2=Nc3[nH]c(=S)[nH]c(=O)c3C2)cc1.S=c1[nH]c2c(c(=S)[nH]1)CC(SCCN1CCOCC1)=N2
• InChI: InChI=1S/C14H19N3O2S3.C14H13N3OS2.C12H16N4OS3.C12H15N3O3S2.C11H13N3O3S2.C10H11N3O3S2.C10H11N3O2S2.C9H12N4OS.C9H11N3OS2/c1-14(2,3)19-10(18)5-4-6-22-9-7-8-11(15-9)16-13(21)17-12(8)20;1-8-2-4-9(5-3-8)7-20-11-6-10-12(15-11)16-14(19)17-13(10)18;18-11-8-7-9(13-10(8)14-12(19)15-11)20-6-3-16-1-4-17-5-2-16;1-2-18-9(16)4-3-5-20-8-6-7-10(13-8)14-12(19)15-11(7)17;1-2-17-8(15)3-4-19-7-5-6-9(12-7)13-11(18)14-10(6)16;1-2-16-7(14)4-18-6-3-5-8(11-6)12-10(17)13-9(5)15;1-5(14)2-3-17-7-4-6-8(11-7)12-10(16)13-9(6)15;1-2-3-4-13-5-10-7-6(13)8(14)12-9(15)11-7;1-2-3-15-6-4-5-7(10-6)11-9(14)12-8(5)13/h4-7H2,1-3H3,(H2,16,17,20,21);2-5H,6-7H2,1H3,(H2,16,17,18,19);1-7H2,(H2,14,15,18,19);2-6H2,1H3,(H2,14,15,17,19);2-5H2,1H3,(H2,13,14,16,18);2-4H2,1H3,(H2,12,13,15,17);2-4H2,1H3,(H2,12,13,15,16);5H,2-4H2,1H3,(H2,11,12,14,15);2-4H2,1H3,(H2,11,12,13,14)
• InChIKey: SQCYVFZADQQFTD-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 655.15 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 47
• Rotatable Bonds: 29
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.54
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?

The IUPAC name of tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 165070204) is tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one.

What is the SMILES notation for tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?

The canonical SMILES for tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one is CC(=O)CCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CC(C)(C)OC(=O)CCCSC1=Nc2[nH]c(=S)[nH]c(=S)c2C1.CCCCn1cnc2[nH]c(=S)[nH]c(=O)c21.CCCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CCOC(=O)CCCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CCOC(=O)CCSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.CCOC(=O)CSC1=Nc2[nH]c(=S)[nH]c(=O)c2C1.Cc1ccc(CSC2=Nc3[nH]c(=S)[nH]c(=O)c3C2)cc1.S=c1[nH]c2c(c(=S)[nH]1)CC(SCCN1CCOCC1)=N2.

What is the InChIKey of tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?

The InChIKey is SQCYVFZADQQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S3.C14H13N3OS2.C12H16N4OS3.C12H15N3O3S2.C11H13N3O3S2.C10H11N3O3S2.C10H11N3O2S2.C9H12N4OS.C9H11N3OS2/c1-14(2,3)19-10(18)5-4-6-22-9-7-8-11(15-9)16-13(21)17-12(8)20;1-8-2-4-9(5-3-8)7-20-11-6-10-12(15-11)16-14(19)17-13(10)18;18-11-8-7-9(13-10(8)14-12(19)15-11)20-6-3-16-1-4-17-5-2-16;1-2-18-9(16)4-3-5-20-8-6-7-10(13-8)14-12(19)15-11(7)17;1-2-17-8(15)3-4-19-7-5-6-9(12-7)13-11(18)14-10(6)16;1-2-16-7(14)4-18-6-3-5-8(11-6)12-10(17)13-9(5)15;1-5(14)2-3-17-7-4-6-8(11-7)12-10(16)13-9(6)15;1-2-3-4-13-5-10-7-6(13)8(14)12-9(15)11-7;1-2-3-15-6-4-5-7(10-6)11-9(14)12-8(5)13/h4-7H2,1-3H3,(H2,16,17,20,21);2-5H,6-7H2,1H3,(H2,16,17,18,19);1-7H2,(H2,14,15,18,19);2-6H2,1H3,(H2,14,15,17,19);2-5H2,1H3,(H2,13,14,16,18);2-4H2,1H3,(H2,12,13,15,17);2-4H2,1H3,(H2,12,13,15,16);5H,2-4H2,1H3,(H2,11,12,14,15);2-4H2,1H3,(H2,11,12,13,14).

What are the key properties of tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?

tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 2622.54 g/mol, XLogP of 20.55, 29 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[2,4-bis(sulfanylidene)-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]butanoate;7-butyl-2-sulfanylidene-3H-purin-6-one;ethyl 2-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate;ethyl 4-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]butanoate;ethyl 3-[(4-oxo-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]propanoate;6-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-(2-morpholin-4-ylethylsulfanyl)-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dithione;6-(3-oxobutylsulfanyl)-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;6-propylsulfanyl-2-sulfanylidene-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 165070204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).