4-oxidanylidene-2-[(phenylmethyl)amino]-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-[(phenylmethyl)amino]-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(benzylamino)-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-[(phenylmethyl)amino]-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(benzylamino)-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylamino)-4-keto-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C17H13N5O MolecularWeight: 303.31802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C17H13N5O/c18-9-14-15(13-7-4-8-19-11-13)21-17(22-16(14)23)20-10-12-5-2-1-3-6-12/h1-8,11H,10H2,(H2,20,21,22,23)