2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-25-18-17(19(28)24-20(25)29)26(12-14-8-4-2-5-9-14)21(23-18)30-13-16(27)22-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,22,27)(H,24,28,29)