4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4,5-dimethoxy-2-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4,5-dimethoxy-2-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4,5-dimethoxy-2-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzonitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC

InChI

InChI=1S/C22H18N6O2/c1-29-19-10-15(12-23)18(11-20(19)30-2)27-22-24-8-7-21(28-22)26-16-9-14-5-3-4-6-17(14)25-13-16/h3-11,13H,1-2H3,(H2,24,26,27,28)