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

Systemtic Name: 5-azanyl-1-[6-(3-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3-methylphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3-methylphenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3-methylphenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C16H14N6OS MolecularWeight: 338.38696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6OS/c1-10-4-3-5-12(6-10)23-14-7-13(20-16(21-14)24-2)22-15(18)11(8-17)9-19-22/h3-7,9H,18H2,1-2H3