N-(3,4-dimethoxyphenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O)OC

InChI

InChI=1S/C21H19N5O4S/c1-29-15-9-8-13(10-16(15)30-2)24-17(27)11-31-21-25-18-19(22-12-23-20(18)28)26(21)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,24,27)(H,22,23,28)