Nombre: 2-benzyl-4-(methylsulphanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

IUPAC: 2-benzyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile

SMILES: CSc1nc(Cc2ccccc2)[nH]c(=O)c1C#N

Canonical SMILES: CSC1=C(C(=O)NC(=N1)CC2=CC=CC=C2)C#N

Fórmula molecular: C13H11N3OS

Masa molecular: 257.31

InChIKey: DQHSGKMAIHAQHR-UHFFFAOYSA-N

InChI: InChI=1S/C13H11N3OS/c1-18-13-10(8-14)12(17)15-11(16-13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16,17)

Sinónimos

SCHEMBL213872SCHEMBL7289327DQHSGKMAIHAQHR-UHFFFAOYSA-N2-benzyl-4-(methylsulphanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

Busqueda Extendida