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

Systemtic Name: 1,8-dimethyl-2-[(2-methyl-3-oxidanyl-butyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(3-hydroxy-2-methyl-butyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[(3-hydroxy-2-methylbutyl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(3-hydroxy-2-methylbutyl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[(3-hydroxy-2-methyl-butyl)amino]-1,8-dimethyl-purin-6-one Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2/c1-12(13(2)25)10-20-19-22-17-16(18(26)23(19)4)24(14(3)21-17)11-15-8-6-5-7-9-15/h5-9,12-13,25H,10-11H2,1-4H3,(H,20,22)