3′-Adenylic acid, N-benzoyl-2′-deoxy-, 2-chlorophenyl 2-cyanoethyl ester
CAS Registry Number®
69434-23-7
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CAS Name
3′-Adenylic acid, N-benzoyl-2′-deoxy-, 2-chlorophenyl 2-cyanoethyl esterMolecular Formula
C26H24ClN6O7PMolecular Mass
598.93Cite this Page
3′-Adenylic acid, N-benzoyl-2′-deoxy-, 2-chlorophenyl 2-cyanoethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=69434-23-7 (retrieved ) (CAS RN: 69434-23-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H24ClN6O7P/c27-18-9-4-5-10-19(18)39-41(36,37-12-6-11-28)40-20-13-22(38-21(20)14-34)33-16-31-23-24(29-15-30-25(23)33)32-26(35)17-7-2-1-3-8-17/h1-5,7-10,15-16,20-22,34H,6,12-14H2,(H,29,30,32,35)/t20-,21+,22+,41?/m0/s1
InChIKey
InChIKey=NWCUSZKCOKMJIF-SDHLMFEHSA-N
SMILES
N(C(=O)C1=CC=CC=C1)C2=C3C(N(C=N3)[C@H]4C[C@H](OP(OC5=C(Cl)C=CC=C5)(OCCC#N)=O)[C@@H](CO)O4)=NC=N2
Canonical SMILES
N#CCCOP(=O)(OC=1C=CC=CC1Cl)OC2CC(OC2CO)N3C=NC=4C(=NC=NC43)NC(=O)C=5C=CC=CC5
Other Names for this Substance
- 3′-Adenylic acid, N-benzoyl-2′-deoxy-, 2-chlorophenyl 2-cyanoethyl ester
