4-[6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[6-(3,5-dimethyl-1-pyrazolyl)-2-methyl-4-pyrimidinyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidin-4-yl]-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=NC(=N2)C)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=NC(=N2)C)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)SC)C

InChI

InChI=1S/C22H27N7OS/c1-15-12-16(2)29(26-15)21-14-20(23-17(3)24-21)27-8-10-28(11-9-27)22(30)25-18-6-5-7-19(13-18)31-4/h5-7,12-14H,8-11H2,1-4H3,(H,25,30)