4-[[2-azanyl-6-(5-chloranyl-2-methyl-phenyl)pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-azanyl-6-(5-chloranyl-2-methyl-phenyl)pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-amino-6-(5-chloro-2-methyl-phenyl)pyrimidin-4-yl]amino]benzonitrile CAS Name: 4-[[2-amino-6-(5-chloro-2-methylphenyl)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]benzonitrile Traditional Name: 4-[[2-amino-6-(5-chloro-2-methyl-phenyl)pyrimidin-4-yl]amino]benzonitrile Formula: C18H14ClN5 MolecularWeight: 335.79026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14ClN5/c1-11-2-5-13(19)8-15(11)16-9-17(24-18(21)23-16)22-14-6-3-12(10-20)4-7-14/h2-9H,1H3,(H3,21,22,23,24)