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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H35N6OP
Molecular Weight 646.7193
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-Phenoxyphenyl)-1-(3R)-3-piperidinyl-N-(triphenylphosphoranylidene)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

SMILES

C1CNC[C@@H](C1)N2N=C(C3=C2N=CN=C3N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(OC8=CC=CC=C8)C=C7

InChI

InChIKey=CUAUFVPNQHCTHO-WJOKGBTCSA-N
InChI=1S/C40H35N6OP/c1-5-15-32(16-6-1)47-33-25-23-30(24-26-33)38-37-39(42-29-43-40(37)46(44-38)31-14-13-27-41-28-31)45-48(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-26,29,31,41H,13-14,27-28H2/t31-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(3R)-3-piperidinyl-N-(triphenylphosphoranylidene)-
Preferred Name English
3-(4-Phenoxyphenyl)-1-(3R)-3-piperidinyl-N-(triphenylphosphoranylidene)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Systematic Name English
Code System Code Type Description
CAS
2064175-43-3
Created by admin on Wed Apr 02 19:17:50 GMT 2025 , Edited by admin on Wed Apr 02 19:17:50 GMT 2025
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FDA UNII
UP9UB2QW7S
Created by admin on Wed Apr 02 19:17:50 GMT 2025 , Edited by admin on Wed Apr 02 19:17:50 GMT 2025
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