33458-26-3
ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
NameETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
pro_formulaC14 H16 N2 O2 S
1Identification
【Name】
ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD00188414
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H16 N2 O2 S
【pro_molWeight】
276.358
【Inchi】
InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)
【InChIKey】
InChIKey=QMFBVGUFEGVPNG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(NC(=S)NC1c2ccccc2)C
【MOL File】
ETHYL 6-METHYL-4-PHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE.cml