2-[3-methyl-2,6-bis(oxidanylidene)-1,7-bis(phenylmethyl)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-1,7-bis(phenylmethyl)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1,7-dibenzyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-methyl-2,6-dioxo-1,7-bis(phenylmethyl)-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(1,7-dibenzyl-2,6-diketo-3-methyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)SCC(=O)NC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)SCC(=O)NC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N5O3S/c1-31-25-24(26(35)33(28(31)36)18-21-13-7-3-8-14-21)32(17-20-11-5-2-6-12-20)27(30-25)37-19-23(34)29-22-15-9-4-10-16-22/h2-16H,17-19H2,1H3,(H,29,34)