1-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-4-methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine

CAS Registry Number®

100644-68-6
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CAS Name

1-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-4-methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine

Molecular Formula

C27H27N5O6

Molecular Mass

517.53

Cite this Page

1-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-4-methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100644-68-6 (retrieved 2024-08-09) (CAS RN: 100644-68-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H27N5O6/c1-15-4-8-17(9-5-15)25(33)36-14-21-20(38-26(34)18-10-6-16(2)7-11-18)12-22(37-21)32-23-19(13-29-32)24(35-3)31-27(28)30-23/h4-11,13,20-22H,12,14H2,1-3H3,(H2,28,30,31)/t20-,21+,22+/m0/s1

InChIKey

InChIKey=JLUHRVVKEOKCHA-BHDDXSALSA-N

SMILES

O(C)C1=C2C(N(N=C2)[C@H]3C[C@H](OC(=O)C4=CC=C(C)C=C4)[C@@H](COC(=O)C5=CC=C(C)C=C5)O3)=NC(N)=N1

Canonical SMILES

O=C(OCC1OC(N2N=CC=3C(=NC(=NC32)N)OC)CC1OC(=O)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Other Names for this Substance

  • 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-4-methoxy-
  • 1-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-4-methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine