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

Systemtic Name: 4,7-dimethyl-6-(3-methylbutyl)-1-(phenylmethyl)imidazo[1,2-a]purin-9-one Openeye Name: 1-benzyl-6-isopentyl-4,7-dimethyl-imidazo[1,2-a]purin-9-one CAS Name: 4,7-dimethyl-6-(3-methylbutyl)-1-(phenylmethyl)-9-imidazo[1,2-a]purinone IUPAC Name: 1-benzyl-4,7-dimethyl-6-(3-methylbutyl)imidazo[1,2-a]purin-9-one Traditional Name: 1-benzyl-6-isoamyl-4,7-dimethyl-imidazo[1,2-a]purin-9-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2N1C(=O)C3=C(N2C)N=CN3CC4=CC=CC=C4)CCC(C)C

Isomeric SMILES

CC1=C(N=C2N1C(=O)C3=C(N2C)N=CN3CC4=CC=CC=C4)CCC(C)C

InChI

InChI=1S/C21H25N5O/c1-14(2)10-11-17-15(3)26-20(27)18-19(24(4)21(26)23-17)22-13-25(18)12-16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3