Basic information
- CAS
57071-74-6- Standard SMILES
CCNc1ncnc2c1c(C(N)=S)cn2C1OC(CO)C(O)C1O- InChIKey
PAWWDDISIGPSJH-UHFFFAOYSA-N- Molecular formula
- C14H19N5O4S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.11577528
Names & identifiers
- Preferred name
- 7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide, 4-(ethyl-amino)-7-beta-d-ribofuranosyl-
- IUPAC
- 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
Names & synonyms
NSC13656057071-74-6DTXSID40398296NSC-136560DS-0060067H-Pyrrolo[2, 4-(ethyl- amino)-7-beta-D-ribofuranosyl-4-(ethylamino)-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide, 4-(ethyl-amino)-7-beta-d-ribofuranosyl-
Database identifiers
- CAS
57071-74-6- PubChem CID
- 3968893
- DTXSID
DTXSID40398296
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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