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

Systemtic Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(1-methyl-2-oxo-propyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-2-(2-keto-1-methyl-propyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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