N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]-2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)thio]acetamide Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=CC(=O)N2)OC)CCSC

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=CC(=O)N2)OC)CCSC

InChI

InChI=1S/C16H19N5O3S2/c1-9-10(7-17)15(18-11(9)4-5-25-3)19-13(23)8-26-16-20-12(22)6-14(21-16)24-2/h6,18H,4-5,8H2,1-3H3,(H,19,23)(H,20,21,22)