HIT ID: HIT212001549
Cas No: 865758-96-9
分子式: C13H10ClN3O2
分子量: 275.69
常用名: 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
常用名: 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 1.8419416493333334
IUPAC: 2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile
IUPAC: 2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile
SMILES: Cn1c(=O)cc(Cl)n(Cc2ccccc2C#N)c1=O
SMILES: Cn1c(=O)cc(Cl)n(Cc2ccccc2C#N)c1=O
InChI key: BVUJISIVAHYNLI-UHFFFAOYSA-N
