4-[[2-azanyl-6-(5-chloranyl-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-azanyl-6-(5-chloranyl-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-amino-6-(5-chloro-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzonitrile CAS Name: 4-[[2-amino-6-(5-chloro-2-methoxyphenyl)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]benzonitrile Traditional Name: 4-[[2-amino-6-(5-chloro-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzonitrile Formula: C18H14ClN5O MolecularWeight: 351.78966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14ClN5O/c1-25-16-7-4-12(19)8-14(16)15-9-17(24-18(21)23-15)22-13-5-2-11(10-20)3-6-13/h2-9H,1H3,(H3,21,22,23,24)