4,6-dimethyl-7-(3-methyl-2-oxidanyl-butyl)-1-(phenylmethyl)imidazo[1,2-a]purin-9-one

Systemtic Name: 4,6-dimethyl-7-(3-methyl-2-oxidanyl-butyl)-1-(phenylmethyl)imidazo[1,2-a]purin-9-one Openeye Name: 1-benzyl-7-(2-hydroxy-3-methyl-butyl)-4,6-dimethyl-imidazo[1,2-a]purin-9-one CAS Name: 7-(2-hydroxy-3-methylbutyl)-4,6-dimethyl-1-(phenylmethyl)-9-imidazo[1,2-a]purinone IUPAC Name: 1-benzyl-7-(2-hydroxy-3-methylbutyl)-4,6-dimethylimidazo[1,2-a]purin-9-one Traditional Name: 1-benzyl-7-(2-hydroxy-3-methyl-butyl)-4,6-dimethyl-imidazo[1,2-a]purin-9-one Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)CC(C(C)C)O

Isomeric SMILES

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)CC(C(C)C)O

InChI

InChI=1S/C21H25N5O2/c1-13(2)17(27)10-16-14(3)23-21-24(4)19-18(20(28)26(16)21)25(12-22-19)11-15-8-6-5-7-9-15/h5-9,12-13,17,27H,10-11H2,1-4H3