4-[[5-(quinolin-3-ylmethylamino)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-(quinolin-3-ylmethylamino)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-(3-quinolylmethylamino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-(3-quinolinylmethylamino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-(quinolin-3-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[5-(3-quinolylmethylamino)pyrimidin-2-yl]amino]benzonitrile Formula: C21H16N6 MolecularWeight: 352.39194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CNC3=CN=C(N=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CNC3=CN=C(N=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N6/c22-10-15-5-7-18(8-6-15)27-21-25-13-19(14-26-21)23-11-16-9-17-3-1-2-4-20(17)24-12-16/h1-9,12-14,23H,11H2,(H,25,26,27)