6-(2-ethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-2-isobutyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-2-isobutyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(C)C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(C)C)C

InChI

InChI=1S/C21H25N5O2/c1-6-15-9-7-8-10-16(15)26-14(4)12-24-17-18(22-20(24)26)23(5)21(28)25(19(17)27)11-13(2)3/h7-10,12-13H,6,11H2,1-5H3