5-methyl-4-phenyl-2-pyrimidin-2-yl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-phenyl-2-pyrimidin-2-yl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-phenyl-2-pyrimidin-2-yl-4H-pyrazol-3-one CAS Name: 5-methyl-4-phenyl-2-(2-pyrimidinyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-phenyl-2-pyrimidin-2-yl-4H-pyrazol-3-one Traditional Name: 5-methyl-4-phenyl-2-(2-pyrimidyl)-2-pyrazolin-3-one Formula: C14H12N4O MolecularWeight: 252.27128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

CC1=NN(C(=O)C1C2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C14H12N4O/c1-10-12(11-6-3-2-4-7-11)13(19)18(17-10)14-15-8-5-9-16-14/h2-9,12H,1H3