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

PropertiesImage
MNX_IDMNXM1371397 Image of MNXM1371397
referencechebi:27714
formulaC9H11N5O2
global charge0
mol weight221.22
InChIKeyXEAAIJWYCBLWNK-UHFFFAOYSA-N
InChIInChI=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)
SMILESCC(=O)C1=NC2=C(N=C(N)NC2=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) Image of MNXM1371397
SMILES (mnx)[CH3:1][C:4]([C:5]1=[N:12][C:6]2=[C:7]([NH:11][CH2:3][CH2:2]1)[NH:13][C:9](=[NH:10])[N:14]=[C:8]2[OH:16])=[O:15]
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
IdentifierDescription

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