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

Systemtic Name: 6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-2-(2-methylallyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxy-5-methylphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxy-5-methylphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-2-(2-methylallyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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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)CC(=C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-12(2)10-25-19(27)17-18(23(5)21(25)28)22-20-24(17)11-14(4)26(20)15-9-13(3)7-8-16(15)29-6/h7-9,11H,1,10H2,2-6H3