4-azanyl-2-[1-[6-(5-cyano-2-methoxy-phenoxy)-5-fluoranyl-pyrimidin-4-yl]piperidin-4-yl]oxy-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[1-[6-(5-cyano-2-methoxy-phenoxy)-5-fluoranyl-pyrimidin-4-yl]piperidin-4-yl]oxy-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[1-[6-(5-cyano-2-methoxy-phenoxy)-5-fluoro-pyrimidin-4-yl]-4-piperidyl]oxy]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[1-[6-(5-cyano-2-methoxyphenoxy)-5-fluoro-4-pyrimidinyl]-4-piperidinyl]oxy]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[1-[6-(5-cyano-2-methoxyphenoxy)-5-fluoropyrimidin-4-yl]piperidin-4-yl]oxypyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[1-[6-(5-cyano-2-methoxy-phenoxy)-5-fluoro-pyrimidin-4-yl]-4-piperidyl]oxy]pyrimidine-5-carbonitrile Formula: C22H19FN8O3 MolecularWeight: 462.436463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)OC2=NC=NC(=C2F)N3CCC(CC3)OC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)OC2=NC=NC(=C2F)N3CCC(CC3)OC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C22H19FN8O3/c1-32-16-3-2-13(9-24)8-17(16)34-21-18(23)20(28-12-29-21)31-6-4-15(5-7-31)33-22-27-11-14(10-25)19(26)30-22/h2-3,8,11-12,15H,4-7H2,1H3,(H2,26,27,30)