Basic information
- CAS
180740-99-2- Standard SMILES
CC(=O)c1cc(N=c2cc(C)n(C)c(N)n2)cc(C(C)=O)c1.Cl- InChIKey
MPCCEBBDYNZILE-UHFFFAOYSA-N- Molecular formula
- C16H19ClN4O2
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.1196536
Overview
structure given in first & second source; CNI-H0294 is the chloride salt
Names & identifiers
- Preferred name
- Cni-H0294
- IUPAC
- 1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]ethanone;hydrochloride
Names & synonyms
180740-99-2CNI-H0294H 0294H-0294RefChem:1449362-Amino-4-(3,5-diacetylphenyl)amino-1,6-dimethylpyrimidinium chlorideorb3174270H-0294 HClDTXSID70939378Ethanone, 1,1'-(5-((1,2-dihydro-2-imino-1,6-dimethyl-4-pyrimidinyl)amino)-1,3-phenylene)bis-,monohydrochloride1,1'-{5-[(2-Imino-1,6-dimethyl-2,3-dihydropyrimidin-4(1H)-ylidene)amino]-1,3-phenylene}di(ethan-1-one)--hydrogen chloride (1/1)
Database identifiers
- CAS
180740-99-2- PubChem CID
- 73088
- DTXSID
DTXSID70939378
Properties
Computed structural properties
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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