(6aS,10R)-2-Chloro-10-methyl-4-[(methylsulfonyl)methyl]-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine - CAS 2161304-05-6
Catalog: |
BB017010 |
Product Name: |
(6aS,10R)-2-Chloro-10-methyl-4-[(methylsulfonyl)methyl]-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine |
CAS: |
2161304-05-6 |
Synonyms: |
4-chloro-14-methyl-6-(methylsulfonylmethyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.0^{2,7}]tetradeca-2,4,6-triene; 4-chloro-14-methyl-6-(methylsulfonylmethyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.0^{2,7}]tetradeca-2,4,6-triene |
IUPAC Name: | (10S,14R)-4-chloro-14-methyl-6-(methylsulfonylmethyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene |
Description: | (6aS,10R)-2-Chloro-10-methyl-4-[(methylsulfonyl)methyl]-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine (CAS# 2161304-05-6 ) is a useful research chemical. |
Molecular Weight: | 333.79 |
Molecular Formula: | C12H16ClN3O4S |
Canonical SMILES: | CC1COCC2N1C3=NC(=NC(=C3OC2)CS(=O)(=O)C)Cl |
InChI: | InChI=1S/C12H16ClN3O4S/c1-7-3-19-4-8-5-20-10-9(6-21(2,17)18)14-12(13)15-11(10)16(7)8/h7-8H,3-6H2,1-2H3 |
InChI Key: | LIWDXRLBRJOFFD-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3464295-A1 | Tricyclic heterocylic derivatives | 20160524 |
EP-3464295-B1 | Tricyclic heterocylic derivatives | 20160524 |
US-10570149-B2 | Tricyclic heterocylic derivatives | 20160524 |
US-2019300547-A1 | Tricyclic heterocylic derivatives | 20160524 |
WO-2017202748-A1 | Tricyclic heterocylic derivatives | 20160524 |
Complexity: | 485 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.0550049 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.0550049 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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