methyl 5-azanyl-1-[6-(2-fluoranylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[6-(2-fluoranylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-(2-fluorophenoxy)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C16H14FN5O3S MolecularWeight: 375.377463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)OC3=CC=CC=C3F)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)OC3=CC=CC=C3F)N

InChI

InChI=1S/C16H14FN5O3S/c1-24-16(23)13-14(18)22(21-15(13)26-2)11-7-12(20-8-19-11)25-10-6-4-3-5-9(10)17/h3-8H,18H2,1-2H3