1,8-dimethyl-2-[(2-methyl-4-oxidanyl-pentan-2-yl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1,8-dimethyl-2-[(2-methyl-4-oxidanyl-pentan-2-yl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(3-hydroxy-1,1-dimethyl-butyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[(4-hydroxy-2-methylpentan-2-yl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(4-hydroxy-2-methylpentan-2-yl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[(3-hydroxy-1,1-dimethyl-butyl)amino]-1,8-dimethyl-purin-6-one Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c1-13(26)11-20(3,4)23-19-22-17-16(18(27)24(19)5)25(14(2)21-17)12-15-9-7-6-8-10-15/h6-10,13,26H,11-12H2,1-5H3,(H,22,23)