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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(3-phenylpropyl)purin-8-yl]thio]-N-phenyl-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)NC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

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