ethyl 4-(4-chlorophenyl)-6-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C21H20ClN5O4/c1-4-31-20(29)17-16(10-27-19(28)15(9-23)11(2)12(3)26-27)24-21(30)25-18(17)13-5-7-14(22)8-6-13/h5-8,18H,4,10H2,1-3H3,(H2,24,25,30)