Catalog Number:
AG01DG96
Chemical Name:
Benzyl 4-(dimethylamino)-2-(methylsulfonyl)-8,9-dihydro-5h-pyrimido[4,5-d]azepine-7(6h)-carboxylate
CAS Number:
1956322-14-7
Molecular Formula:
C19H24N4O4S
Molecular Weight:
404.4833
MDL Number:
MFCD29917117
IUPAC Name:
benzyl 4-(dimethylamino)-2-methylsulfonyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
InChI:
InChI=1S/C19H24N4O4S/c1-22(2)17-15-9-11-23(19(24)27-13-14-7-5-4-6-8-14)12-10-16(15)20-18(21-17)28(3,25)26/h4-8H,9-13H2,1-3H3
InChI Key:
PVIOTFCZVVYSSJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(CC1)nc(nc2N(C)C)S(=O)(=O)C)OCc1ccccc1
