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

Systemtic Name: 5-azanyl-1-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-methoxyphenoxy)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C16H14N6O2S MolecularWeight: 354.38636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=NC(=C2)N3C(=C(C(=N3)SC)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=NC(=C2)N3C(=C(C(=N3)SC)C#N)N

InChI

InChI=1S/C16H14N6O2S/c1-23-10-3-5-11(6-4-10)24-14-7-13(19-9-20-14)22-15(18)12(8-17)16(21-22)25-2/h3-7,9H,18H2,1-2H3