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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31N5O2S
Molecular Weight 489.632
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((3R,4R)-1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES

C[C@@H]1CCN(CC2=CC=CC=C2)C[C@@H]1N(C)C3=C4C=CN(C4=NC=N3)S(=O)(=O)C5=CC=C(C)C=C5

InChI

InChIKey=GWMBPMUFLFJILW-BWKNWUBXSA-N
InChI=1S/C27H31N5O2S/c1-20-9-11-23(12-10-20)35(33,34)32-16-14-24-26(28-19-29-27(24)32)30(3)25-18-31(15-13-21(25)2)17-22-7-5-4-6-8-22/h4-12,14,16,19,21,25H,13,15,17-18H2,1-3H3/t21-,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-((3R,4R)-1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name English
N-Methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name English
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-methylphenyl)sulfonyl]-
Systematic Name English
Code System Code Type Description
CAS
923036-30-0
Created by admin on Sat Dec 16 20:07:11 GMT 2023 , Edited by admin on Sat Dec 16 20:07:11 GMT 2023
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FDA UNII
YWT8L388ED
Created by admin on Sat Dec 16 20:07:11 GMT 2023 , Edited by admin on Sat Dec 16 20:07:11 GMT 2023
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PUBCHEM
15984680
Created by admin on Sat Dec 16 20:07:11 GMT 2023 , Edited by admin on Sat Dec 16 20:07:11 GMT 2023
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