N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]acetamide CAS Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O2S/c1-3-15-10-17(25)22-19(20-15)24-16(9-13(2)23-24)21-18(26)12-27-11-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3,(H,21,26)(H,20,22,25)