Basic information
- CAS
89139-32-2- Standard SMILES
O=C(O)CNC(=O)c1cc(=O)[nH]c(=S)[nH]1- InChIKey
PQODZFUWVYDKMM-UHFFFAOYSA-N- Molecular formula
- C7H7N3O4S
- Average molar mass
- 229.22 g/mol
- Monoisotopic mass
- 229.01572689
Names & identifiers
- Preferred name
- 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid
- IUPAC
- 2-[(4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbonyl)amino]acetic acid
Names & synonyms
89139-32-22-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acidST50974597Oprea1_411265DTXSID00389448AKOS000676133SR-01000362737SR-01000362737-12-[(6-oxo-2-thioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]acetic acidN-(6-Oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbonyl)glycine
Database identifiers
- CAS
89139-32-2- PubChem CID
- 3117136
- DTXSID
DTXSID00389448
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…