177082-57-4
5-CHLORO-1,3-DIMETHYL-2,4,7-TRIOXO-8-PHENYL-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXALDEHYDE
Name5-CHLORO-1,3-DIMETHYL-2,4,7-TRIOXO-8-PHENYL-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXALDEHYDE
1Identification
【Name】
5-CHLORO-1,3-DIMETHYL-2,4,7-TRIOXO-8-PHENYL-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXALDEHYDE
【CAS】
【MDL】
MFCD00275283
【English Synonyms】
【Formula】
C16 H12 Cl N3 O4
【MolWeight】
345.741
【Inchi】
InChI=1S/C16H12ClN3O4/c1-18-13-11(15(23)19(2)16(18)24)12(17)10(8-21)14(22)20(13)9-6-4-3-5-7-9/h3-8H,1-2H3
【InChIKey】
InChIKey=KKWLJZVIKAJWGM-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(c(c(=O)n2c3ccccc3)C=O)Cl)c(=O)n(c1=O)C
【MOL File】
5-CHLORO-1,3-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-1,3-DIMETHYL-2,4,7-TRIOXO-8-PHENYL-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXALDEHYDE.cml