6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-isopentyl-6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxy-5-methylphenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxy-5-methylphenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isoamyl-6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C)C

InChI

InChI=1S/C22H27N5O3/c1-13(2)9-10-25-20(28)18-19(24(5)22(25)29)23-21-26(18)12-15(4)27(21)16-11-14(3)7-8-17(16)30-6/h7-8,11-13H,9-10H2,1-6H3