Basic information
- CAS
6948-12-5- Standard SMILES
Nc1nc(N)c(N)c(Nc2ccccc2)n1.O=S(=O)(O)O- InChIKey
NZTYTNLXYJNZHZ-UHFFFAOYSA-N- Molecular formula
- C10H14N6O4S
- Average molar mass
- 314.32 g/mol
- Monoisotopic mass
- 314.07972412
Names & identifiers
- Preferred name
- 4-N-phenylpyrimidine-2,4,5,6-tetramine;sulfuric acid
- IUPAC
- 4-N-phenylpyrimidine-2,4,5,6-tetramine;sulfuric acid
Names & synonyms
6948-12-5NSC55727DTXSID10989418NSC-55727Sulfuric acid--2-imino-6-(phenylimino)-1,2,3,6-tetrahydropyrimidine-4,5-diamine (1/1)
Database identifiers
- CAS
6948-12-5- PubChem CID
- 244643
- DTXSID
DTXSID10989418
Properties
Computed structural properties
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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