Catalog Number:
AG000MBD
Chemical Name:
7H-PyriMido[4,5-d]azepine-7-carboxylic acid, 2-aMino-3,4,5,6,8,9-hexahydro-4-oxo-, 1,1-diMethylethyl ester
CAS Number:
1245646-44-9
Molecular Formula:
C13H20N4O3
Molecular Weight:
280.3229
IUPAC Name:
tert-butyl 2-amino-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7-carboxylate
InChI:
InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-6-4-8-9(5-7-17)15-11(14)16-10(8)18/h4-7H2,1-3H3,(H3,14,15,16,18)
InChI Key:
XLCFXKNEBCPQIB-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(CC1)c(=O)[nH]c(n2)N)OC(C)(C)C