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

Systemtic Name: N-cyclopentyl-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-ethanamide Openeye Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-cyclopentyl-acetamide CAS Name: N-cyclopentyl-2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]acetamide IUPAC Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-cyclopentyl-acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S/c1-24-18-17(19(28)25(2)21(24)29)26(12-14-8-4-3-5-9-14)20(23-18)30-13-16(27)22-15-10-6-7-11-15/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,22,27)