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

Systemtic Name: ethyl 6-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-4-30-20(28)17-16(11-26-19(27)15(10-22)12(2)13(3)25-26)23-21(29)24-18(17)14-8-6-5-7-9-14/h5-9,18H,4,11H2,1-3H3,(H2,23,24,29)