1253791-05-7
ETHYL 5-HYDROXY-2-(METHYLTHIO)-7-OXO-8-(PROP-2-YNYL)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 5-HYDROXY-2-(METHYLTHIO)-7-OXO-8-(PROP-2-YNYL)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
1Identification
【Name】
ETHYL 5-HYDROXY-2-(METHYLTHIO)-7-OXO-8-(PROP-2-YNYL)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD17011945
【English Synonyms】
【Formula】
C14 H13 N3 O4 S
【MolWeight】
319.34
【Inchi】
InChI=1S/C14H13N3O4S/c1-4-6-17-11-8(7-15-14(16-11)22-3)10(18)9(12(17)19)13(20)21-5-2/h1,7,18H,5-6H2,2-3H3
【InChIKey】
InChIKey=KVQGSZJXCMQLII-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2cnc(nc2n(c1=O)CC#C)SC)O
【MOL File】
ETHYL 5-HYDROXY-2-(M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-HYDROXY-2-(METHYLTHIO)-7-OXO-8-(PROP-2-YNYL)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml