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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-phenylpropyl)purin-8-yl]thio]-N-phenyl-acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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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)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3S/c1-27-20-19(21(30)26-22(27)31)28(14-8-11-16-9-4-2-5-10-16)23(25-20)32-15-18(29)24-17-12-6-3-7-13-17/h2-7,9-10,12-13H,8,11,14-15H2,1H3,(H,24,29)(H,26,30,31)