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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1-benzyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3,7-dimethyl-2,6-dioxo-1-(phenylmethyl)-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-(1-benzyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(1-benzyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O3S/c1-25-18-19(24-21(25)31-14-17(28)23-16-11-7-4-8-12-16)26(2)22(30)27(20(18)29)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H,23,28)