Basic information
- CAS
970-84-3- Standard SMILES
Cn1c(=O)c2[nH]c(-c3c[nH]c4ccccc34)nc2n(C)c1=O- InChIKey
IVIWTPKRTUUIRF-UHFFFAOYSA-N- Molecular formula
- C15H13N5O2
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.10692467
Names & identifiers
- Preferred name
- 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
- IUPAC
- 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
NSC265527970-84-3SCHEMBL515556DTXSID50313011NSC-2655278-(1H-Indol-3-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
970-84-3- PubChem CID
- 319876
- DTXSID
DTXSID50313011- Nikkaji
- J3.070.508D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…