2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H17N5O4S/c1-20-13-12(14(23)21(2)16(20)24)18-15(19-13)26-8-11(22)17-9-4-6-10(25-3)7-5-9/h4-7H,8H2,1-3H3,(H,17,22)(H,18,19)