Phenylmethyl 3,4,5,6,8,9-hexahydro-4-oxo-7H-pyrimido[4,5-d]azepine-7-carboxylate

CAS Registry Number®

1257856-33-9
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CAS Name

Phenylmethyl 3,4,5,6,8,9-hexahydro-4-oxo-7H-pyrimido[4,5-d]azepine-7-carboxylate

Molecular Formula

C16H17N3O3

Molecular Mass

299.32

Cite this Page

Phenylmethyl 3,4,5,6,8,9-hexahydro-4-oxo-7H-pyrimido[4,5-d]azepine-7-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1257856-33-9 (retrieved 2024-08-24) (CAS RN: 1257856-33-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

SMILES

O=C1C2=C(CCN(C(OCC3=CC=CC=C3)=O)CC2)NC=N1

Canonical SMILES

O=C1N=CNC2=C1CCN(C(=O)OCC=3C=CC=CC3)CC2

Other Names for this Substance

  • 7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 3,4,5,6,8,9-hexahydro-4-oxo-, phenylmethyl ester
  • Phenylmethyl 3,4,5,6,8,9-hexahydro-4-oxo-7H-pyrimido[4,5-d]azepine-7-carboxylate