9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-9-beta-D-ribofuranosyl-
Basic information
- CAS
3384-61-0- Standard SMILES
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
WJPLSTABBCGIQS-UHFFFAOYSA-N- Molecular formula
- C14H16N8O6S
- Average molar mass
- 424.39 g/mol
- Monoisotopic mass
- 424.09135143
Names & identifiers
- Preferred name
- 9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-9-beta-D-ribofuranosyl-
- IUPAC
- 2-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
MLS0027028493384-61-0NSC40665NSC-40665CHEMBL285930DTXSID609554269H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-.beta.-D-ribofuranosyl-9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-9-.beta.-D-ribofuranosyl-NCI60_003859SMR0015666719H-Purine, 2-amino-6-(1-methyl-4-nitroimidazol-5-ylthio)-9-.beta.-D-ribofuranosyl-2-[2-AMINO-6-(3-METHYL-5-NITRO-IMIDAZOL-4-YL)SULFANYL-PURIN-9-YL]-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL
Show more names
6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
Database identifiers
- CAS
3384-61-0- PubChem CID
- 237305
- DTXSID
DTXSID60955426- ChEMBL
CHEMBL285930
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 617
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Compound notes
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