**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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

Properties Image MNX_ID MNXM1371397 reference chebi:27714 formula C9H11N5O2 global charge 0 mol weight 221.22 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 MNX internals InChI (mnx) InChI=1/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 (mnx) [C:1]12=[C:5]([CH:7]=[C:6]([N:14]([OH:15])=[O:16])[CH2:4][CH2:3][CH2:2]1)[N:11](=[NH:12])[NH:10][C:9]([NH2:13])=[CH:8]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1

Similar chemical compounds in external resources

Identifier	Description
CHEBI:27714 chebi:27714 XEAAIJWYCBLWNK-UHFFFAOYSA-N	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 XEAAIJWYCBLWNK-UHFFFAOYSA-N	Pyrimidodiazepines
kegg.compound:C02587 keggC:C02587 XEAAIJWYCBLWNK-UHFFFAOYSA-N	Pyrimidodiazepine 2-Amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one
seed.compound:cpd01690 seedM:cpd01690 XEAAIJWYCBLWNK-UHFFFAOYSA-N	Pyrimidodiazepine 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-pyrimido[4,5-b]-[1,4]diazepine 2-amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one PDA a pyrimidodiazepine
metacyc.compound:Pyrimidodiazepines metacycM:Pyrimidodiazepines XEAAIJWYCBLWNK-UHFFFAOYSA-N	a pyrimidodiazepine
chebi:26449 chebi:78230 chebi:8679 keggC:M_C02587 seedM:M_cpd01690 seedM:M_cpd28007	secondary/obsolete/fantasy identifier