3-[6-[2-(3-fluoranyl-4-methoxy-phenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[2-(3-fluoranyl-4-methoxy-phenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-[2-(3-fluoro-4-methoxy-phenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]benzonitrile CAS Name: 3-[6-[2-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methoxy-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[6-[2-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-[2-(3-fluoro-4-methoxy-phenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]benzonitrile Formula: C21H19FN4O2 MolecularWeight: 378.399563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC(=C2)C3=CC=CC(=C3)C#N)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC(=C2)C3=CC=CC(=C3)C#N)OC)F

InChI

InChI=1S/C21H19FN4O2/c1-27-19-7-6-14(11-17(19)22)8-9-24-20-12-18(25-21(26-20)28-2)16-5-3-4-15(10-16)13-23/h3-7,10-12H,8-9H2,1-2H3,(H,24,25,26)