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

Systemtic Name: 1,8-dimethyl-2-[(1-methyl-2-oxidanyl-cyclohexyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(2-hydroxy-1-methyl-cyclohexyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[(2-hydroxy-1-methylcyclohexyl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(2-hydroxy-1-methylcyclohexyl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[(2-hydroxy-1-methyl-cyclohexyl)amino]-1,8-dimethyl-purin-6-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4(CCCCC4O)C)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4(CCCCC4O)C)C

InChI

InChI=1S/C21H27N5O2/c1-14-22-18-17(26(14)13-15-9-5-4-6-10-15)19(28)25(3)20(23-18)24-21(2)12-8-7-11-16(21)27/h4-6,9-10,16,27H,7-8,11-13H2,1-3H3,(H,23,24)