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

Systemtic Name: 5-azanyl-3-ethyl-1-[6-(4-fluoranylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-ethyl-1-[6-(4-fluorophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-ethyl-1-[6-(4-fluorophenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-ethyl-1-[6-(4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-3-ethyl-1-[6-(4-fluorophenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C17H15FN6OS MolecularWeight: 370.404003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN6OS/c1-3-13-12(9-19)16(20)24(23-13)14-8-15(22-17(21-14)26-2)25-11-6-4-10(18)5-7-11/h4-8H,3,20H2,1-2H3