1,8-dimethyl-2-[(1-methyl-2-oxidanyl-cyclopentyl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1,8-dimethyl-2-[(1-methyl-2-oxidanyl-cyclopentyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(2-hydroxy-1-methyl-cyclopentyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[(2-hydroxy-1-methylcyclopentyl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(2-hydroxy-1-methylcyclopentyl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[(2-hydroxy-1-methyl-cyclopentyl)amino]-1,8-dimethyl-purin-6-one Formula: C20H25N5O2 MolecularWeight: 367.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4(CCCC4O)C)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4(CCCC4O)C)C

InChI

InChI=1S/C20H25N5O2/c1-13-21-17-16(25(13)12-14-8-5-4-6-9-14)18(27)24(3)19(22-17)23-20(2)11-7-10-15(20)26/h4-6,8-9,15,26H,7,10-12H2,1-3H3,(H,22,23)