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

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C18H18N6OS MolecularWeight: 366.44012

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6OS/c1-10-5-11(2)7-13(6-10)25-16-8-15(21-12(3)22-16)24-17(20)14(9-19)18(23-24)26-4/h5-8H,20H2,1-4H3