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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]-N-phenethylacetamide IUPAC Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-phenethyl-acetamide Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3S/c1-27-21-20(22(31)28(2)24(27)32)29(15-18-11-7-4-8-12-18)23(26-21)33-16-19(30)25-14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H,25,30)