Basic information
- CAS
57963-58-3- Standard SMILES
Nc1nc(N)c2nc(CSc3ccccc3)cnc2n1- InChIKey
ZJOATKLQTCGUSP-UHFFFAOYSA-N- Molecular formula
- C13H12N6S
- Average molar mass
- 284.34 g/mol
- Monoisotopic mass
- 284.08441558
Names & identifiers
- Preferred name
- 2,4-Pteridinediamine, 6-((phenylthio)methyl)-
- IUPAC
- 6-(phenylsulfanylmethyl)pteridine-2,4-diamine
Names & synonyms
57963-58-32,4-Pteridinediamine, 6-((phenylthio)methyl)-D5VU87D2MN2,4-Diamino-6-phenylthiomethyl-pteridineNSC232965UNII-D5VU87D2MNNSC 232965CHEMBL2792436-((Phenylthio)methyl)-2,4-pteridinediamineNSC-2329652,4-Pteridinediamine, 6-[(phenylthio)methyl]-6-(phenylsulfanylmethyl)pteridine-2,4-diamine
Show more names
6-Phenylsulfanylmethyl-pteridine-2,4-diamine6-[(phenylsulfanyl)methyl]pteridine-2,4-diamineSCHEMBL11630631DTXSID30206699BDBM50049602PD183007
Database identifiers
- CAS
57963-58-3- PubChem CID
- 314604
- DTXSID
DTXSID30206699- ChEMBL
CHEMBL279243- UNII
- D5VU87D2MN
- Nikkaji
- J419.870K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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