4-[4-[[3-[(phenylmethyl)amino]pyridin-4-yl]amino]quinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[[3-[(phenylmethyl)amino]pyridin-4-yl]amino]quinazolin-2-yl]benzenecarbonitrile Openeye Name: 4-[4-[[3-(benzylamino)-4-pyridyl]amino]quinazolin-2-yl]benzonitrile CAS Name: 4-[4-[[3-[(phenylmethyl)amino]-4-pyridinyl]amino]-2-quinazolinyl]benzonitrile IUPAC Name: 4-[4-[[3-(benzylamino)pyridin-4-yl]amino]quinazolin-2-yl]benzonitrile Traditional Name: 4-[4-[[3-(benzylamino)-4-pyridyl]amino]quinazolin-2-yl]benzonitrile Formula: C27H20N6 MolecularWeight: 428.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=CN=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=CN=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H20N6/c28-16-19-10-12-21(13-11-19)26-31-23-9-5-4-8-22(23)27(33-26)32-24-14-15-29-18-25(24)30-17-20-6-2-1-3-7-20/h1-15,18,30H,17H2,(H,29,31,32,33)