1253790-09-8
ETHYL 5-HYDROXY-8-ISOPENTYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 5-HYDROXY-8-ISOPENTYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
pro_formulaC16 H21 N3 O4 S
1Identification
【Name】
ETHYL 5-HYDROXY-8-ISOPENTYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD17011944
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H21 N3 O4 S
【pro_molWeight】
351.425
【Inchi】
InChI=1S/C16H21N3O4S/c1-5-23-15(22)11-12(20)10-8-17-16(24-4)18-13(10)19(14(11)21)7-6-9(2)3/h8-9,20H,5-7H2,1-4H3
【InChIKey】
InChIKey=IEISPQPIXMLLKI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2cnc(nc2n(c1=O)CCC(C)C)SC)O
【MOL File】
ETHYL 5-HYDROXY-8-IS….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL 5-HYDROXY-8-ISOPENTYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml