4-cyano-N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-cyano-N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 4-cyano-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-cyano-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-cyano-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-cyano-N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N6O2/c1-3-14-9-16(25)22-18(20-14)24-15(8-11(2)23-24)21-17(26)13-6-4-12(10-19)5-7-13/h4-9H,3H2,1-2H3,(H,21,26)(H,20,22,25)