6-Acetyl-2-amino-3,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-one

CAS Registry Number®

80003-63-0

CAS Name

6-Acetyl-2-amino-3,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-one

Molecular Formula

C9H11N5O2

Molecular Mass

221.22

Cite this Page

6-Acetyl-2-amino-3,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80003-63-0 (retrieved 2024-11-24) (CAS RN: 80003-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)

InChIKey

InChIKey=XEAAIJWYCBLWNK-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(N)=N1)NCCC(C(C)=O)=N2

Canonical SMILES

O=C1N=C(N)NC=2NCCC(=NC12)C(=O)C

Other Names for this Substance

  • 4H-Pyrimido[4,5-b][1,4]diazepin-4-one, 6-acetyl-2-amino-3,7,8,9-tetrahydro-
  • 4H-Pyrimido[4,5-b][1,4]diazepin-4-one, 6-acetyl-2-amino-1,7,8,9-tetrahydro-
  • 6-Acetyl-2-amino-3,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-one

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