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

CAS Registry Number®

1439904-36-5
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CAS Name

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

Molecular Formula

C22H25FN4O3

Molecular Mass

412.46

Cite this Page

1,1-Dimethylethyl 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-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=1439904-36-5 (retrieved 2024-09-07) (CAS RN: 1439904-36-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H25FN4O3/c1-22(2,3)30-21(29)27-13-17-16(18(27)20(28)26-10-4-5-11-26)12-24-19(25-17)14-6-8-15(23)9-7-14/h6-9,12,18H,4-5,10-11,13H2,1-3H3

InChIKey

InChIKey=IAJLZVAVZKZMAE-UHFFFAOYSA-N

SMILES

C(=O)(C1C=2C(CN1C(OC(C)(C)C)=O)=NC(=NC2)C3=CC=C(F)C=C3)N4CCCC4

Canonical SMILES

O=C(OC(C)(C)C)N1CC2=NC(=NC=C2C1C(=O)N3CCCC3)C=4C=CC(F)=CC4

Other Names for this Substance

  • 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate