N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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

C106H103N35O21S4 — CID 160919165

About N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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

N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 160919165) has the molecular formula C106H103N35O21S4 and a molecular weight of 2331.48 g/mol. Its IUPAC name is N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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: N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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: 160919165
• Molecular Formula: C106H103N35O21S4
• Molecular Weight: 2331.48 g/mol
• Exact Mass: 2329.70
• IUPAC Name: N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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: C=S(N)(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C=[N+]([O-])c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1.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.C17H16N6O3S.C16H18N6O4S/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;1-9-4-5-10-11(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;1-20-14-13(15(24)21(2)16(20)25)22(9-18-14)8-12(23)19-10-4-6-11(7-5-10)27(3,17)26/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,3,8H2,1-2,4H3,(H,19,24);4-6,8H,7H2,1-3H3,(H,19,20,24);4-7,9H,3,8H2,1-2H3,(H2,17,26)(H,19,23)
• InChIKey: UZHIXZHVEQIIJN-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 662.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 51
• Rotatable Bonds: 23
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2331.48
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 160919165) is N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 C=S(N)(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C=[N+]([O-])c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1.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 N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 UZHIXZHVEQIIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S.C19H17N5O3.C18H16N6O3S.C17H18N6O5.C17H16N6O3S.C16H18N6O4S/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;1-9-4-5-10-11(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;1-20-14-13(15(24)21(2)16(20)25)22(9-18-14)8-12(23)19-10-4-6-11(7-5-10)27(3,17)26/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,3,8H2,1-2,4H3,(H,19,24);4-6,8H,7H2,1-3H3,(H,19,20,24);4-7,9H,3,8H2,1-2H3,(H2,17,26)(H,19,23).

What are the key properties of N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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?

N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 2331.48 g/mol, XLogP of 3.86, 23 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methoxyphenyl]methanimine oxide;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 160919165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).