Basic information
- CAS
29822-11-5- Standard SMILES
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)n1- InChIKey
CQSJACXSGYLKEX-UHFFFAOYSA-N- Molecular formula
- C17H18N8O4S
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.11717226
Names & identifiers
- Preferred name
- 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
- IUPAC
- 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Names & synonyms
NSC-11440829822-11-5DTXSID104234234-[(2Z)-2-(4-Imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide
Database identifiers
- CAS
29822-11-5- PubChem CID
- 271024
- DTXSID
DTXSID10423423
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 844
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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