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

Systemtic Name: 2-butyl-6-(3-chloranyl-4-methyl-phenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-(3-chloro-4-methyl-phenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-6-(3-chloro-4-methyl-phenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)C)Cl)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)C)Cl)C)N(C1=O)C

InChI

InChI=1S/C20H22ClN5O2/c1-5-6-9-24-18(27)16-17(23(4)20(24)28)22-19-25(16)11-13(3)26(19)14-8-7-12(2)15(21)10-14/h7-8,10-11H,5-6,9H2,1-4H3