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

Systemtic Name: 5-azanyl-1-[2-methyl-6-(3-methylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[2-methyl-6-(3-methylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2-methyl-6-(3-methylphenoxy)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-methyl-6-(3-methylphenoxy)pyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2-methyl-6-(3-methylphenoxy)pyrimidin-4-yl]-3-(methylthio)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)SC)C#N)N)C

Isomeric SMILES

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

InChI

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