7,9-Dimethylthieno(3'',2'':5',6')pyrido(4',3':3,4)pyrazolo(1,5-a)pyrimidine
Basic information
- CAS
70661-50-6- Standard SMILES
Cc1cc(C)n2nc3c4ccsc4ncc3c2n1- InChIKey
MZBFZKWSQBGAHQ-UHFFFAOYSA-N- Molecular formula
- C13H10N4S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.06261751
Names & identifiers
- Preferred name
- 7,9-Dimethylthieno(3'',2'':5',6')pyrido(4',3':3,4)pyrazolo(1,5-a)pyrimidine
- IUPAC
- 12,14-dimethyl-5-thia-7,11,15,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,9,11,13-heptaene
Names & synonyms
XLJ7HN1XMW70661-50-6UNII-XLJ7HN1XMWNSC 3394937,9-Dimethylthieno(3'',2'':5',6')pyrido(4',3':3,4)pyrazolo(1,5-a)pyrimidineNSC-339493DTXSID402209477,9-Dimethylthieno[3'',2'':5',6']pyrido[4',3':3,4]pyrazolo[1,5-a]pyrimidineRefChem:105626DTXCID70143438NSC339493DS-005968
Show more names
7,9-Dimethylthieno[3,2:5,6]pyrido[4,3:3,4]pyrazolo[1,5-a]pyrimidine
Database identifiers
- CAS
70661-50-6- PubChem CID
- 334399
- DTXSID
DTXSID40220947- UNII
- XLJ7HN1XMW
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
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Compound notes
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