2-[1-(3-aminophenyl)-2-oxidanylidene-5-pyrimidin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-(3-aminophenyl)-2-oxidanylidene-5-pyrimidin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-(3-aminophenyl)-2-oxo-5-pyrimidin-2-yl-3-pyridyl]benzonitrile CAS Name: 2-[1-(3-aminophenyl)-2-oxo-5-(2-pyrimidinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-(3-aminophenyl)-2-oxo-5-pyrimidin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[1-(3-aminophenyl)-2-keto-5-(2-pyrimidyl)-3-pyridyl]benzonitrile Formula: C22H15N5O MolecularWeight: 365.3874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CC(=CC=C3)N)C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CC(=CC=C3)N)C4=NC=CC=N4

InChI

InChI=1S/C22H15N5O/c23-13-15-5-1-2-8-19(15)20-11-16(21-25-9-4-10-26-21)14-27(22(20)28)18-7-3-6-17(24)12-18/h1-12,14H,24H2