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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_IDMNXM1371398 Image of MNXM1371398
referencemetacycM:A-PYRIMIDODIAZEPINE
formulaC9H11N5O2
global charge0
mol weight221.22
InChIKeyBOSVDFPJRMNOAH-UHFFFAOYSA-N
InChIInChI=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)
SMILESCC(=O)C1=NC2C(=O)N=C(N)N=C2NCC1
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/h6H,2-3H2,1H3,(H3,10,11,13,14,16)/t6? Image of MNXM1371398
SMILES (mnx)[CH3:1][C:4]([C:5]1=[N:12][CH:6]2[C:7](=[N:13][C:9]([NH2:10])=[N:14][C:8]2=[O:16])[NH:11][CH2:3][CH2:2]1)=[O:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:A-PYRIMIDODIAZEPINE
metacycM:A-PYRIMIDODIAZEPINE
BOSVDFPJRMNOAH-UHFFFAOYSA-N 		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