6-methyl-2-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-2-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-6-methyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)pyrimidin-4-olate CAS Name: 6-methyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-6-methyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)pyrimidin-4-olate Traditional Name: 5-benzyl-2-(5-keto-3-phenyl-3-pyrazolin-1-yl)-6-methyl-pyrimidin-4-olate Formula: C21H17N4O2- MolecularWeight: 357.38528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2C(=O)C=C(N2)C3=CC=CC=C3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)N2C(=O)C=C(N2)C3=CC=CC=C3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2/c1-14-17(12-15-8-4-2-5-9-15)20(27)23-21(22-14)25-19(26)13-18(24-25)16-10-6-3-7-11-16/h2-11,13,24H,12H2,1H3,(H,22,23,27)/p-1