[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C107H102N35O21S4+ — CID 160693668

About [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 160693668) has the molecular formula C107H102N35O21S4+ and a molecular weight of 2342.48 g/mol. Its IUPAC name is [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 160693668
• Molecular Formula: C107H102N35O21S4+
• Molecular Weight: 2342.48 g/mol
• Exact Mass: 2340.69
• IUPAC Name: [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• SMILES: COc1cc([N+](C)=O)ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1.Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1.Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ccccc23)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3)cs2)n(C)c1=O
• InChI: InChI=1S/C19H18N6O3S.C19H17N5O3.C18H16N6O3S.C17H18N6O5.C17H16N6O4S.C17H16N6O3S/c1-11-4-6-12(7-5-11)13-9-29-18(21-13)22-14(26)8-25-10-20-16-15(25)17(27)24(3)19(28)23(16)2;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-14-9-5-7-12-6-3-4-8-13(12)14;1-22-15-14(16(26)23(2)18(22)27)24(10-19-15)8-13(25)21-17-20-12(9-28-17)11-6-4-3-5-7-11;1-20-15-14(16(25)21(2)17(20)26)23(9-18-15)8-13(24)19-11-6-5-10(22(3)27)7-12(11)28-4;1-21-14-13(15(25)22(2)17(21)26)23(8-18-14)7-12(24)20-16-19-10-5-4-9(27-3)6-11(10)28-16;1-9-4-5-10-11(6-9)27-16(19-10)20-12(24)7-23-8-18-14-13(23)15(25)22(3)17(26)21(14)2/h4-7,9-10H,8H2,1-3H3,(H,21,22,26);3-9,11H,10H2,1-2H3,(H,21,25);3-7,9-10H,8H2,1-2H3,(H,20,21,25);5-7,9H,8H2,1-4H3;4-6,8H,7H2,1-3H3,(H,19,20,24);4-6,8H,7H2,1-3H3,(H,19,20,24)/p+1
• InChIKey: GCEDRVMSPHFCKK-UHFFFAOYSA-O
• XLogP: 5.73
• TPSA: 635.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 53
• Rotatable Bonds: 23
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2342.48
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 160693668) is [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is COc1cc([N+](C)=O)ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1.Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1.Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ccccc23)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3)cs2)n(C)c1=O.

What is the InChIKey of [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is GCEDRVMSPHFCKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N6O3S.C19H17N5O3.C18H16N6O3S.C17H18N6O5.C17H16N6O4S.C17H16N6O3S/c1-11-4-6-12(7-5-11)13-9-29-18(21-13)22-14(26)8-25-10-20-16-15(25)17(27)24(3)19(28)23(16)2;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-14-9-5-7-12-6-3-4-8-13(12)14;1-22-15-14(16(26)23(2)18(22)27)24(10-19-15)8-13(25)21-17-20-12(9-28-17)11-6-4-3-5-7-11;1-20-15-14(16(25)21(2)17(20)26)23(9-18-15)8-13(24)19-11-6-5-10(22(3)27)7-12(11)28-4;1-21-14-13(15(25)22(2)17(21)26)23(8-18-14)7-12(24)20-16-19-10-5-4-9(27-3)6-11(10)28-16;1-9-4-5-10-11(6-9)27-16(19-10)20-12(24)7-23-8-18-14-13(23)15(25)22(3)17(26)21(14)2/h4-7,9-10H,8H2,1-3H3,(H,21,22,26);3-9,11H,10H2,1-2H3,(H,21,25);3-7,9-10H,8H2,1-2H3,(H,20,21,25);5-7,9H,8H2,1-4H3;4-6,8H,7H2,1-3H3,(H,19,20,24);4-6,8H,7H2,1-3H3,(H,19,20,24)/p+1.

What are the key properties of [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 2342.48 g/mol, XLogP of 5.73, 23 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]-methyl-oxoazanium;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 160693668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).