10H-Pyrido(2,3-b)pyrimido(4,5-e)(1,4)thiazin-4-amine, 7-chloro-
Basic information
- CAS
63931-16-8- Standard SMILES
Nc1ncnc2c1Sc1nc(Cl)ccc1N2- InChIKey
SVKNRGVYLSCGDQ-UHFFFAOYSA-N- Molecular formula
- C9H6ClN5S
- Average molar mass
- 251.7 g/mol
- Monoisotopic mass
- 251.0032441
Names & identifiers
- Preferred name
- 10H-Pyrido(2,3-b)pyrimido(4,5-e)(1,4)thiazin-4-amine, 7-chloro-
- IUPAC
- 12-chloro-9-thia-2,4,6,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaen-7-amine
Names & synonyms
63931-16-8NSC19499110H-Pyrido(2,3-b)pyrimido(4,5-e)(1,4)thiazin-4-amine, 7-chloro-NSC 194991NSC-1949917-chloro-10H-pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazin-4-amine10H-Pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazin-4-amine, 7-chloro-G6CXH97Q8QDTXSID202137317-chloro-10H-pyrido[[?]]pyrimido[[?]][1,4]thiazin-4-amine12-chloro-9-thia-2,4,6,11-tetraazatricyclo[8.4.0.0{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaen-7-amine
Database identifiers
- CAS
63931-16-8- PubChem CID
- 304067
- DTXSID
DTXSID20213731- UNII
- G6CXH97Q8Q
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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