N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N5OS/c1-15-13-19(18-8-5-4-6-9-18)24-21(23-15)28-14-20(27)22-10-7-11-26-17(3)12-16(2)25-26/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,22,27)