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

Properties

Image

Occurences in reactions

MNX_ID

MNXM732507

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₉H₁₁N₅O₂

charge

mass

221.09127

reference

InChIKey

XEAAIJWYCBLWNK-UHFFFAOYSA-N

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)

SMILES

CC(=O)C1=Nc2c(nc(N)[nH]c2=O)NCC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27714 chebi:27714	2-amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one 2-Amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine 6-Acetyldihydrohomopterin 6-Acetylhomopterin 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
seed.compound:cpd28007 seedM:cpd28007	Pyrimidodiazepines
kegg.compound:C02587 keggC:C02587	Pyrimidodiazepine 2-Amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one
metacyc.compound:Pyrimidodiazepines metacycM:Pyrimidodiazepines	a pyrimidodiazepine
chebi:26449 chebi:78230 chebi:8679 keggC:M_C02587 seedM:M_cpd28007	secondary/obsolete/fantasy identifier