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

Systemtic Name: 2-(2-ethoxyethyl)-6-(4-ethylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(2-ethoxyethyl)-6-(4-ethylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(2-ethoxyethyl)-6-(4-ethylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(2-ethoxyethyl)-6-(4-ethylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(2-ethoxyethyl)-6-(4-ethylphenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCOCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCOCC)C

InChI

InChI=1S/C21H25N5O3/c1-5-15-7-9-16(10-8-15)26-14(3)13-25-17-18(22-20(25)26)23(4)21(28)24(19(17)27)11-12-29-6-2/h7-10,13H,5-6,11-12H2,1-4H3