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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)CC

Isomeric SMILES

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)CC

InChI

InChI=1S/C21H25N5O2/c1-5-7-12-25-16(15-10-8-14(6-2)9-11-15)13-26-17-18(22-20(25)26)23(3)21(28)24(4)19(17)27/h8-11,13H,5-7,12H2,1-4H3