Basic information
- CAS
79722-42-2- Standard SMILES
Nc1nc(N)c2nc3c(nc2n1)C(=O)N(c1ccc(C(=O)O)cc1)C3- InChIKey
SYNNRVYMWIAFNX-UHFFFAOYSA-N- Molecular formula
- C15H11N7O3
- Average molar mass
- 337.29 g/mol
- Monoisotopic mass
- 337.09233724
Names & identifiers
- Preferred name
- 4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid
- IUPAC
- 4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid
Names & synonyms
NSC20983779722-42-24-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid4-(2,4-Diamino-8-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acidSCHEMBL24668460DTXSID40308815NSC-209837
Database identifiers
- CAS
79722-42-2- PubChem CID
- 308352
- DTXSID
DTXSID40308815
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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