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

Systemtic Name: 1-(cyclohexylmethyl)-4,6-dimethyl-7-(3-methyl-2-oxidanyl-butyl)imidazo[1,2-a]purin-9-one Openeye Name: 1-(cyclohexylmethyl)-7-(2-hydroxy-3-methyl-butyl)-4,6-dimethyl-imidazo[1,2-a]purin-9-one CAS Name: 1-(cyclohexylmethyl)-7-(2-hydroxy-3-methylbutyl)-4,6-dimethyl-9-imidazo[1,2-a]purinone IUPAC Name: 1-(cyclohexylmethyl)-7-(2-hydroxy-3-methylbutyl)-4,6-dimethylimidazo[1,2-a]purin-9-one Traditional Name: 1-(cyclohexylmethyl)-7-(2-hydroxy-3-methyl-butyl)-4,6-dimethyl-imidazo[1,2-a]purin-9-one Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=O)C3=C(N=CN3CC4CCCCC4)N(C2=N1)C)CC(C(C)C)O

Isomeric SMILES

CC1=C(N2C(=O)C3=C(N=CN3CC4CCCCC4)N(C2=N1)C)CC(C(C)C)O

InChI

InChI=1S/C21H31N5O2/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/h12-13,15,17,27H,5-11H2,1-4H3