ethyl 3-azanyl-1-(5-cyano-4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-1-(5-cyano-4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-[5-cyano-4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]pyrazole-4-carboxylate CAS Name: 3-amino-1-(5-cyano-4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(5-cyano-4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)pyrazole-4-carboxylate Traditional Name: 3-amino-1-[5-cyano-4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C16H13N7O3 MolecularWeight: 351.31952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1N)C2=NC(=O)C(=C(N2)C3=CC=NC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CN(N=C1N)C2=NC(=O)C(=C(N2)C3=CC=NC=C3)C#N

InChI

InChI=1S/C16H13N7O3/c1-2-26-15(25)11-8-23(22-13(11)18)16-20-12(9-3-5-19-6-4-9)10(7-17)14(24)21-16/h3-6,8H,2H2,1H3,(H2,18,22)(H,20,21,24)