76360-94-6
ETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
pro_formulaC14 H15 N3 O4 S
1Identification
【Name】
ETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD17011943
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H15 N3 O4 S
【pro_molWeight】
321.355
【Inchi】
InChI=1S/C14H15N3O4S/c1-4-6-17-11-8(7-15-14(16-11)22-3)10(18)9(12(17)19)13(20)21-5-2/h4,7,18H,1,5-6H2,2-3H3
【InChIKey】
InChIKey=MUEXBLMEJCDDCM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2cnc(nc2n(c1=O)CC=C)SC)O
【MOL File】
ETHYL 8-ALLYL-5-HYDR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml