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

Systemtic Name: 5-azanyl-3-methyl-1-[6-(3-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methyl-1-[6-(3-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-methyl-1-[6-(3-methylphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methyl-1-[6-(3-methylphenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-3-methyl-1-[6-(3-methylphenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C17H16N6OS MolecularWeight: 352.41354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6OS/c1-10-5-4-6-12(7-10)24-15-8-14(20-17(21-15)25-3)23-16(19)13(9-18)11(2)22-23/h4-8H,19H2,1-3H3