1,1-Dimethylethyl 5,7-dihydro-2-(methylsulfonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

CAS Registry Number®

365996-87-8
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CAS Name

1,1-Dimethylethyl 5,7-dihydro-2-(methylsulfonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Molecular Formula

C12H17N3O4S

Molecular Mass

299.35

Cite this Page

1,1-Dimethylethyl 5,7-dihydro-2-(methylsulfonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=365996-87-8 (retrieved 2024-06-26) (CAS RN: 365996-87-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3

InChIKey

InChIKey=OWHKZXFLURWFDL-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1CC=2C(C1)=CN=C(S(C)(=O)=O)N2

Canonical SMILES

O=C(OC(C)(C)C)N1CC2=NC(=NC=C2C1)S(=O)(=O)C

Other Names for this Substance

  • 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5,7-dihydro-2-(methylsulfonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
  • 2-Methanesulfonyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
  • tert-Butyl 2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

CAS INSIGHTSTM
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