7-chloro-10H-pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine-2,4-diamine
Basic information
- CAS
42362-21-0- Standard SMILES
Nc1nc(N)c2c(n1)Nc1ccc(Cl)nc1S2- InChIKey
QYUDKLGHQTWYKV-UHFFFAOYSA-N- Molecular formula
- C9H7ClN6S
- Average molar mass
- 266.71 g/mol
- Monoisotopic mass
- 266.0141431
Names & identifiers
- Preferred name
- 7-chloro-10H-pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine-2,4-diamine
- IUPAC
- 12-chloro-9-thia-2,4,6,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene-5,7-diamine
Names & synonyms
NSC19498642362-21-0DTXSID503077537-chloro-10H-pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine-2,4-diamineNSC-1949867-chloro-10H-pyrido[[?]]pyrimido[[?]][1,4]thiazine-2,4-diamine10H-Pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine-2,4-diamine, 7-chloro-
Database identifiers
- CAS
42362-21-0- PubChem CID
- 304065
- DTXSID
DTXSID50307753
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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