245728-43-2
ETHYL 4-CHLORO-5-METHYL-7-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 4-CHLORO-5-METHYL-7-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
pro_formulaC16 H14 Cl N3 O2
1Identification
【Name】
ETHYL 4-CHLORO-5-METHYL-7-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD00096734
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H14 Cl N3 O2
【pro_molWeight】
315.759
【Inchi】
InChI=1S/C16H14ClN3O2/c1-3-22-16(21)13-10(2)12-14(17)18-9-19-15(12)20(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
【InChIKey】
InChIKey=CSIMHLZSLGNDHX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2c(n1c3ccccc3)ncnc2Cl)C
【MOL File】
ETHYL 4-CHLORO-5-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL 4-CHLORO-5-METHYL-7-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml