3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione
Basic information
- CAS
74414-86-1- Standard SMILES
O=c1[nH]c(=O)c2n[nH]c(=S)nc2[nH]1- InChIKey
OJDBKCHCOJURJE-UHFFFAOYSA-N- Molecular formula
- C5H3N5O2S
- Average molar mass
- 197.18 g/mol
- Monoisotopic mass
- 197.00074553
Names & identifiers
- Preferred name
- 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione
- IUPAC
- 3-sulfanylidene-2,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8-dione
Names & synonyms
74414-86-1NSC21956DTXSID60395984NSC-219563-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione3,4,5,6,7,8-hexahydro-6,8-dioxopyrimido[4,5-e][1,2,4]-triazine-3-thione
Database identifiers
- CAS
74414-86-1- PubChem CID
- 3755897
- DTXSID
DTXSID60395984
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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