1253791-11-5
ETHYL 8-BENZYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 8-BENZYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
1Identification
【Name】
ETHYL 8-BENZYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD17011941
【English Synonyms】
【Formula】
C18 H17 N3 O4 S
【MolWeight】
371.415
【Inchi】
InChI=1S/C18H17N3O4S/c1-3-25-17(24)13-14(22)12-9-19-18(26-2)20-15(12)21(16(13)23)10-11-7-5-4-6-8-11/h4-9,22H,3,10H2,1-2H3
【InChIKey】
InChIKey=OOFVXQPUOCGAJP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2cnc(nc2n(c1=O)Cc3ccccc3)SC)O
【MOL File】
ETHYL 8-BENZYL-5-HYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 8-BENZYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml