4-[(4-chloranyl-5-methyl-6-quinolin-7-yloxy-pyrimidin-2-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-chloranyl-5-methyl-6-quinolin-7-yloxy-pyrimidin-2-yl)amino]benzenecarbonitrile Openeye Name: 4-[[4-chloro-5-methyl-6-(7-quinolyloxy)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-chloro-5-methyl-6-(7-quinolinyloxy)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[(4-chloro-5-methyl-6-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile Traditional Name: 4-[[4-chloro-5-methyl-6-(7-quinolyloxy)pyrimidin-2-yl]amino]benzonitrile Formula: C21H14ClN5O MolecularWeight: 387.82176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)NC2=CC=C(C=C2)C#N)OC3=CC4=C(C=CC=N4)C=C3

Isomeric SMILES

CC1=C(N=C(N=C1Cl)NC2=CC=C(C=C2)C#N)OC3=CC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C21H14ClN5O/c1-13-19(22)26-21(25-16-7-4-14(12-23)5-8-16)27-20(13)28-17-9-6-15-3-2-10-24-18(15)11-17/h2-11H,1H3,(H,25,26,27)