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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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