BENZYL 4-OXO-3,4,5,6,8,9-HEXAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE

CAS No.
1257856-33-9
CCD No.
CCD01018527
Formula
C16 H17 N3 O3
MolWeight
299.328

Basic Information

Product Name: BENZYL 4-OXO-3,4,5,6,8,9-HEXAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE
CAS: 1257856-33-9
English Synonyms: 7H-PYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLIC ACID, 3,4,5,6,8,9-HEXAHYDRO-4-OXO-, PHENYLMETHYL ESTER ; BENZYL 4-OXO-3,4,5,6,8,9-HEXAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE
MDL Number.: MFCD11111522
H bond acceptor: 6
H bond donor: 1
Smile: c1ccc(cc1)COC(=O)N2CCc3c(nc[nH]c3=O)CC2
InChi: InChI=1S/C16H17N3O3/c20-15-13-6-8-19(9-7-14(13)17-11-18-15)16(21)22-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18,20)
InChiKey: InChIKey=WTZSHDLQNYLPCO-UHFFFAOYSA-N

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