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

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




Chemical Formula:
C9H11N5O2
Molecular Weight:
221.218 Daltons
Monoisotopic Mass:
221.0912746233 Daltons
SMILES:
CC(=O)C1(CCNC2(=NC(N)=NC(=O)C(N=1)2))
InChI:
1S/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h6H,2-3H2,1H3,(H3,10,11,13,14,16)
InChIKey:
BOSVDFPJRMNOAH-UHFFFAOYSA-N

Synonyms
  • 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one

Databases
MetaCyc:  A-PYRIMIDODIAZEPINE
PubChem (CID):  78174113 135887869
KEGG:  C02587
ChEBI:  27714
MetaNetX:  MNXM21414