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

Systemtic Name: 2-azanyl-3-[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[2-(4-cyanoanilino)pyrimidin-4-yl]benzonitrile CAS Name: 2-amino-3-[2-(4-cyanoanilino)-4-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[2-(4-cyanoanilino)pyrimidin-4-yl]benzonitrile Traditional Name: 2-amino-3-[2-(4-cyanoanilino)pyrimidin-4-yl]benzonitrile Formula: C18H12N6 MolecularWeight: 312.32808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N6/c19-10-12-4-6-14(7-5-12)23-18-22-9-8-16(24-18)15-3-1-2-13(11-20)17(15)21/h1-9H,21H2,(H,22,23,24)