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

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

Isomeric SMILES

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

InChI

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