4-[2-azanyl-6-[[2-phenyl-4-[(phenylmethyl)amino]quinolin-6-yl]amino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-azanyl-6-[[2-phenyl-4-[(phenylmethyl)amino]quinolin-6-yl]amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[2-amino-6-[[4-(benzylamino)-2-phenyl-6-quinolyl]amino]pyrimidin-4-yl]benzonitrile CAS Name: 4-[2-amino-6-[[2-phenyl-4-[(phenylmethyl)amino]-6-quinolinyl]amino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-amino-6-[[4-(benzylamino)-2-phenylquinolin-6-yl]amino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-[2-amino-6-[[4-(benzylamino)-2-phenyl-6-quinolyl]amino]pyrimidin-4-yl]benzonitrile Formula: C33H25N7 MolecularWeight: 519.5985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)NC4=NC(=NC(=C4)C5=CC=C(C=C5)C#N)N)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)NC4=NC(=NC(=C4)C5=CC=C(C=C5)C#N)N)C6=CC=CC=C6

InChI

InChI=1S/C33H25N7/c34-20-22-11-13-25(14-12-22)30-19-32(40-33(35)39-30)37-26-15-16-28-27(17-26)31(36-21-23-7-3-1-4-8-23)18-29(38-28)24-9-5-2-6-10-24/h1-19H,21H2,(H,36,38)(H3,35,37,39,40)