Basic information
- CAS
17174-29-7- Standard SMILES
CSc1nc(N)c(N=Nc2ccc([As](=O)(O)O)cc2)c(N)n1- InChIKey
OWNJEDFUOMXTPX-UHFFFAOYSA-N- Molecular formula
- C11H13AsN6O3S
- Average molar mass
- 384.25 g/mol
- Monoisotopic mass
- 383.998579
Names & identifiers
- Preferred name
- (4-{(e)-[4,6-Diamino-2-(methylsulfanyl)pyrimidin-5-yl]diazenyl}phenyl)arsonic acid
- IUPAC
- [4-[(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)diazenyl]phenyl]arsonic acid
Names & synonyms
17174-29-7(4-{(e)-[4,6-diamino-2-(methylsulfanyl)pyrimidin-5-yl]diazenyl}phenyl)arsonic acidNSC82548ANTINEOPLASTIC-82548DTXSID70292435NSC-82548
Database identifiers
- CAS
17174-29-7- PubChem CID
- 256154
- DTXSID
DTXSID70292435
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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