5-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C19H20ClN5OS/c1-12-15(13(2)25(24-12)11-14-7-5-4-6-8-14)9-21-18(26)17-16(20)10-22-19(23-17)27-3/h4-8,10H,9,11H2,1-3H3,(H,21,26)