N-cyclopentyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclopentyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-cyclopentyl-2-[[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]thio]acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4CCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4CCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H27N5O3S/c1-14-8-10-15(11-9-14)12-27-18-19(25(2)22(30)26(3)20(18)29)24-21(27)31-13-17(28)23-16-6-4-5-7-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,28)