Catalog Number:
AG00HWFG
Chemical Name:
Benzyl 4-Chloro-2-(Methylsulfonyl)-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate
CAS Number:
1422344-53-3
Molecular Formula:
C17H18ClN3O4S
Molecular Weight:
395.8605
MDL Number:
MFCD23378426
IUPAC Name:
benzyl 4-chloro-2-methylsulfonyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
InChI:
InChI=1S/C17H18ClN3O4S/c1-26(23,24)16-19-14-8-10-21(9-7-13(14)15(18)20-16)17(22)25-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChI Key:
FZUCDEGMRRBBNF-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(CC1)nc(nc2Cl)S(=O)(=O)C)OCc1ccccc1
