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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N,N-diphenylacetamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N,N-diphenyl-acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-24-18-17(19(28)25(2)21(24)29)22-20(23-18)30-13-16(27)26(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,22,23)