名称: 2-(3-methylbenzyl)-4-(methylsulphanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

IUPAC: 2-[(3-methylphenyl)methyl]-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile

SMILES: CSc1nc(Cc2cccc(C)c2)[nH]c(=O)c1C#N

Canonical SMILES: CC1=CC(=CC=C1)CC2=NC(=C(C(=O)N2)C#N)SC

分子式: C14H13N3OS

分子量: 271.34

InChIKey: ITTYRLAEAOMEPR-UHFFFAOYSA-N

InChI: InChI=1S/C14H13N3OS/c1-9-4-3-5-10(6-9)7-12-16-13(18)11(8-15)14(17-12)19-2/h3-6H,7H2,1-2H3,(H,16,17,18)

同義語

SCHEMBL213830ITTYRLAEAOMEPR-UHFFFAOYSA-N2-(3-methylbenzyl)-4-(methylsulphanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile