5-azanyl-1-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(4-keto-6-phenyl-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile Formula: C14H10N6O MolecularWeight: 278.2688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C14H10N6O/c15-7-10-8-17-20(13(10)16)14-18-11(6-12(21)19-14)9-4-2-1-3-5-9/h1-6,8H,16H2,(H,18,19,21)