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

Systemtic Name: 4-cyano-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 4-cyano-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-cyano-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-cyano-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-cyano-N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H18N6O2/c1-4-15-12(3)21-19(23-18(15)27)25-16(9-11(2)24-25)22-17(26)14-7-5-13(10-20)6-8-14/h5-9H,4H2,1-3H3,(H,22,26)(H,21,23,27)