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3-(2-Chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid

HCID 124241
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Basic information

CAS
113942-32-8
Standard SMILES
O=C(O)c1ncn2c(=O)n(CCCl)nnc12
InChIKey
FOGTXLLWVRUBDH-UHFFFAOYSA-N
Molecular formula
C7H6ClN5O3
Average molar mass
243.61 g/mol
Monoisotopic mass
243.01591673

Names & identifiers

Preferred name
3-(2-Chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
IUPAC
3-(2-Chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
English name
3-(2-chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid
Molecular formula
C7H6ClN5O3
Molecular weight
243.61

Names & synonyms

3-(2-chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acidImidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-

Database identifiers

CAS
113942-32-8
PubChem CID
124241
DTXSID
DTXSID20921243
ChEMBL
CHEMBL31897
Nikkaji
J302.501B

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