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

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C23H20N6OS MolecularWeight: 428.5095

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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)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)C4=CC=CC=C4)C

InChI

InChI=1S/C23H20N6OS/c1-14-9-15(2)11-17(10-14)30-20-12-19(26-22(27-20)16-7-5-4-6-8-16)29-21(25)18(13-24)23(28-29)31-3/h4-12H,25H2,1-3H3