2-(1,3-Dimethyl-2,4,6-trioxo-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)hydrazine-1-carbothioamide
Basic information
- CAS
72195-08-5- Standard SMILES
Cn1c(=O)c2c(N=NC(N)=S)c(O)[nH]c2n(C)c1=O- InChIKey
KRASUMVUEWSKQR-UHFFFAOYSA-N- Molecular formula
- C9H10N6O3S
- Average molar mass
- 282.28 g/mol
- Monoisotopic mass
- 282.05350938
Names & identifiers
- Preferred name
- 2-(1,3-Dimethyl-2,4,6-trioxo-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)hydrazine-1-carbothioamide
- IUPAC
- (6-hydroxy-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)iminothiourea
Names & synonyms
72195-08-5NSC279251DTXSID40418483NSC-2792512-(1,3-Dimethyl-2,4,6-trioxo-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)hydrazine-1-carbothioamide
Database identifiers
- CAS
72195-08-5- PubChem CID
- 3926417
- DTXSID
DTXSID40418483
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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