76360-86-6
ETHYL 5-HYDROXY-8-ISOPROPYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 5-HYDROXY-8-ISOPROPYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
1Identification
【Name】
ETHYL 5-HYDROXY-8-ISOPROPYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD17011939
【English Synonyms】
【Formula】
C14 H17 N3 O4 S
【MolWeight】
323.371
【Inchi】
InChI=1S/C14H17N3O4S/c1-5-21-13(20)9-10(18)8-6-15-14(22-4)16-11(8)17(7(2)3)12(9)19/h6-7,18H,5H2,1-4H3
【InChIKey】
InChIKey=BPKZALDCHAXRIT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2cnc(nc2n(c1=O)C(C)C)SC)O
【MOL File】
ETHYL 5-HYDROXY-8-IS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-HYDROXY-8-ISOPROPYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml