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

Systemtic Name: 5-azanyl-1-[6-(4-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-methylphenoxy)-2-(methylthio)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-methylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-methylphenoxy)-2-(methylthio)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C17H16N6OS2 MolecularWeight: 384.47854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)SC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)SC

InChI

InChI=1S/C17H16N6OS2/c1-10-4-6-11(7-5-10)24-14-8-13(20-17(21-14)26-3)23-15(19)12(9-18)16(22-23)25-2/h4-8H,19H2,1-3H3