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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H38ClN5O2S
Molecular Weight 676.269
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-N-methyl-7-[(4-methylphenyl)sulfonyl]-N-[(3R,4R)-4-methyl-1-(triphenylmethyl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=C3C=CN(C3=NC(Cl)=N2)S(=O)(=O)C4=CC=C(C)C=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=BATWNXNLVXUWBA-UYHPJTEGSA-N
InChI=1S/C39H38ClN5O2S/c1-28-19-21-33(22-20-28)48(46,47)45-26-24-34-36(41-38(40)42-37(34)45)43(3)35-27-44(25-23-29(35)2)39(30-13-7-4-8-14-30,31-15-9-5-10-16-31)32-17-11-6-12-18-32/h4-22,24,26,29,35H,23,25,27H2,1-3H3/t29-,35+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Chloro-N-methyl-7-[(4-methylphenyl)sulfonyl]-N-[(3R,4R)-4-methyl-1-(triphenylmethyl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name English
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2-chloro-N-methyl-7-[(4-methylphenyl)sulfonyl]-N-[(3R,4R)-4-methyl-1-(triphenylmethyl)-3-piperidinyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
90270902
Created by admin on Sat Dec 16 19:21:31 GMT 2023 , Edited by admin on Sat Dec 16 19:21:31 GMT 2023
PRIMARY
CAS
1616760-94-1
Created by admin on Sat Dec 16 19:21:31 GMT 2023 , Edited by admin on Sat Dec 16 19:21:31 GMT 2023
PRIMARY
FDA UNII
MM6TPT9H6L
Created by admin on Sat Dec 16 19:21:31 GMT 2023 , Edited by admin on Sat Dec 16 19:21:31 GMT 2023
PRIMARY