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

Systemtic Name: 1,8-dimethyl-2-[4-methylpentyl(oxidanyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[hydroxy(isohexyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[hydroxy(4-methylpentyl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[hydroxy(4-methylpentyl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[hydroxy(isohexyl)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)N(CCCC(C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c1-14(2)9-8-12-25(27)20-22-18-17(19(26)23(20)4)24(15(3)21-18)13-16-10-6-5-7-11-16/h5-7,10-11,14,27H,8-9,12-13H2,1-4H3