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

Systemtic Name: ethyl 3-azanyl-1-(5-cyano-4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-[5-cyano-4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-(5-cyano-4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-5-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(5-cyano-4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 3-amino-1-[5-cyano-4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]-5-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C17H15N7O3S MolecularWeight: 397.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N7O3S/c1-3-27-16(26)11-13(19)23-24(15(11)28-2)17-21-12(9-4-6-20-7-5-9)10(8-18)14(25)22-17/h4-7H,3H2,1-2H3,(H2,19,23)(H,21,22,25)