N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C21H23N7OS MolecularWeight: 421.51862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N7OS/c1-14-11-15(2)26-21(25-14)30-13-19(29)24-10-6-9-18-17(12-22)20(23)28(27-18)16-7-4-3-5-8-16/h3-5,7-8,11H,6,9-10,13,23H2,1-2H3,(H,24,29)