1,8-dimethyl-2-[3-methylpentyl(oxidanyl)amino]-7-(phenylmethyl)purin-6-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCN(C1=NC2=C(C(=O)N1C)N(C(=N2)C)CC3=CC=CC=C3)O

Isomeric SMILES

CCC(C)CCN(C1=NC2=C(C(=O)N1C)N(C(=N2)C)CC3=CC=CC=C3)O

InChI

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