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

Systemtic Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(2-ethylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(2-ethylphenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-5-14-8-6-7-9-15(14)25-12(2)10-23-16-17(21-19(23)25)22(4)20(28)24(18(16)27)11-13(3)26/h6-10H,5,11H2,1-4H3