3-[6-[(phenylmethyl)amino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[(phenylmethyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)pyrimidin-4-yl]benzonitrile CAS Name: 3-[6-[(phenylmethyl)amino]-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[6-(benzylamino)pyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-(benzylamino)pyrimidin-4-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/c19-11-15-7-4-8-16(9-15)17-10-18(22-13-21-17)20-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,20,21,22)