Basic information
- CAS
501357-90-0- Standard SMILES
O=c1[nH]c(=O)c2sc3ncccc3c2[nH]1- InChIKey
SOWCVDMRPMZWHX-UHFFFAOYSA-N- Molecular formula
- C9H5N3O2S
- Average molar mass
- 219.22 g/mol
- Monoisotopic mass
- 219.01024758
Names & identifiers
- Preferred name
- 8-Thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
- IUPAC
- 8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
- English name
- Pyrido[3',2':4,5]thieno[3,2-d]pyriMidine-2,4(1H,3H)-dione
- Molecular formula
- C9H5N3O2S
- Molecular weight
- 219.22
Names & synonyms
501357-90-0NSC2845048-Thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dioneMFCD18633570Pyrido[3',2':4,5]thieno[3,2-d]pyriMidine-2,4(1H,3H)-dioneSCHEMBL5729400DTXSID20314499SOWCVDMRPMZWHX-UHFFFAOYSA-NNSC-284504SY4252931H-Pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-dionePyrido[3 inverted exclamation mark ,2 inverted exclamation mark :4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
501357-90-0- PubChem CID
- 323536
- DTXSID
DTXSID20314499
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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