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

Systemtic Name: 5-azanyl-1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chloro-3,5-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chloro-3,5-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C17H15ClN6OS MolecularWeight: 386.8586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)SC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)SC

InChI

InChI=1S/C17H15ClN6OS/c1-9-4-12(5-10(2)15(9)18)25-14-6-13(22-17(23-14)26-3)24-16(20)11(7-19)8-21-24/h4-6,8H,20H2,1-3H3