Basic information
- CAS
174654-77-4- Standard SMILES
COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1OC- InChIKey
KVVYXYFMGZBRSZ-UHFFFAOYSA-N- Molecular formula
- C15H16N6O2S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.10554495
Names & identifiers
- Preferred name
- 2,4-Pteridinediamine, 6-((3,4-dimethoxyphenylthio)methyl)-
- IUPAC
- 6-[(3,4-dimethoxyphenyl)sulfanylmethyl]pteridine-2,4-diamine
Names & synonyms
174654-77-42,4-Pteridinediamine, 6-((3,4-dimethoxyphenylthio)methyl)-CHEMBL23286V8UFD7LB7ZDTXSID909385456-[(3,4-dimethoxyphenyl)sulfanylmethyl]pteridine-2,4-diamineBDBM500504162,4-Pteridinediamine, 6-[(3,4-dimethoxyphenylthio)methyl]2,4-Pteridinediamine, 6-[[(3,4-dimethoxyphenyl)thio]methyl]-6-(3,4-Dimethoxy-phenylsulfanylmethyl)-pteridine-2,4-diamine6-[[(3,4-Dimethoxyphenyl)thio]methyl]-2,4-pteridinediamine6-{[(3,4-Dimethoxyphenyl)sulfanyl]methyl}-2-imino-2,3-dihydropteridin-4-amine
Database identifiers
- CAS
174654-77-4- PubChem CID
- 464985
- DTXSID
DTXSID90938545- ChEMBL
CHEMBL23286- UNII
- V8UFD7LB7Z
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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