N-((3R,4R)-1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

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

Structure Search

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

Molecular Formula	C27H31N5O2S
Molecular Weight	489.632
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 20:07:11 GMT 2023` Edited by `admin` on `Sat Dec 16 20:07:11 GMT 2023`
Record UNII	YWT8L388ED
Record Status	`Validated (UNII)`
Record Version

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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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