名称: 2-(3,4-dichlorobenzyl)-4-(methylsulphanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

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

SMILES: CSc1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1C#N

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

分子式: C13H9Cl2N3OS

分子量: 326.20

InChIKey: BUONQVFUJKDBGZ-UHFFFAOYSA-N

InChI: InChI=1S/C13H9Cl2N3OS/c1-20-13-8(6-16)12(19)17-11(18-13)5-7-2-3-9(14)10(15)4-7/h2-4H,5H2,1H3,(H,17,18,19)

同義語

SCHEMBL212705BUONQVFUJKDBGZ-UHFFFAOYSA-N2-(3,4-dichlorobenzyl)-4-(methylsulphanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

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