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

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

Structure Search

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

Molecular Formula	C39H38ClN5O2S
Molecular Weight	676.269
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:21:31 GMT 2023` Edited by `admin` on `Sat Dec 16 19:21:31 GMT 2023`
Record UNII	MM6TPT9H6L
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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