Basic information
- CAS
73851-45-3- Standard SMILES
C=CCSc1ncnc2c1c1c(N)ncnc1n2C1OC(CO)C(O)C1O- InChIKey
LANPVQQSSISUGN-UHFFFAOYSA-N- Molecular formula
- C16H18N6O4S
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.11102425
Names & identifiers
- Preferred name
- 2-(3-Amino-13-prop-2-enylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(3-amino-13-prop-2-enylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC26722573851-45-3DTXSID30313190NSC-2672259-Pentofuranosyl-5-[(prop-2-en-1-yl)sulfanyl]-9H-pyrrolo[2,3-d:5,4-d']dipyrimidin-4-amine
Database identifiers
- CAS
73851-45-3- PubChem CID
- 320286
- DTXSID
DTXSID30313190
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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