5-chloranyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CCCNC(=O)C2=NC(=NC=C2Cl)SC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1CCCNC(=O)C2=NC(=NC=C2Cl)SC)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN5OS/c1-13-14(12-25(24-13)15-8-4-3-5-9-15)7-6-10-21-18(26)17-16(20)11-22-19(23-17)27-2/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,21,26)