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

Systemtic Name: N-[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide CAS Name: N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O2S/c1-12-9-16(24)21-18(19-12)23-15(8-13(2)22-23)20-17(25)11-26-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,20,25)(H,19,21,24)