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

Systemtic Name: 2-butyl-6-(3-chloranyl-4-methoxy-phenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-(3-chloro-4-methoxy-phenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-6-(3-chloro-4-methoxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-6-(3-chloro-4-methoxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-6-(3-chloro-4-methoxy-phenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O3/c1-5-6-9-24-18(27)16-17(23(3)20(24)28)22-19-25(16)11-12(2)26(19)13-7-8-15(29-4)14(21)10-13/h7-8,10-11H,5-6,9H2,1-4H3