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

Systemtic Name: 4-[[4-[(phenylmethyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(benzylamino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(phenylmethyl)amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(benzylamino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(benzylamino)pyrimidin-2-yl]amino]benzonitrile Formula: C18H15N5 MolecularWeight: 301.3452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N5/c19-12-14-6-8-16(9-7-14)22-18-20-11-10-17(23-18)21-13-15-4-2-1-3-5-15/h1-11H,13H2,(H2,20,21,22,23)