3-[4-[(phenylmethyl)amino]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(phenylmethyl)amino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(benzylamino)pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-[(phenylmethyl)amino]-2-pyrimidinyl]benzonitrile IUPAC Name: 3-[4-(benzylamino)pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-(benzylamino)pyrimidin-2-yl]benzonitrile Formula: C18H14N4 MolecularWeight: 286.33056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H14N4/c19-12-15-7-4-8-16(11-15)18-20-10-9-17(22-18)21-13-14-5-2-1-3-6-14/h1-11H,13H2,(H,20,21,22)