3,4-bis[methoxy-[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3,4-bis[methoxy-[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3,4-bis[methoxy-[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3,4-bis[methoxy-[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3,4-bis[methoxy-[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3,4-bis[methoxy-[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzonitrile Formula: C35H27N11O2 MolecularWeight: 633.66138

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Descriptors Computed from Structure

Canonical SMILES:

CON(C1=C(C=C(C=C1)C#N)N(C2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC)C5=NC=CC(=N5)NC6=CC7=CC=CC=C7N=C6

Isomeric SMILES

CON(C1=C(C=C(C=C1)C#N)N(C2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC)C5=NC=CC(=N5)NC6=CC7=CC=CC=C7N=C6

InChI

InChI=1S/C35H27N11O2/c1-47-45(34-37-15-13-32(43-34)41-26-18-24-7-3-5-9-28(24)39-21-26)30-12-11-23(20-36)17-31(30)46(48-2)35-38-16-14-33(44-35)42-27-19-25-8-4-6-10-29(25)40-22-27/h3-19,21-22H,1-2H3,(H,37,41,43)(H,38,42,44)