3-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-1,8,8-TRIMETHYL-3-AZABICYCLO(3.2.1)OCTANE-2,4-DIONE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C22H33N5O2
Molecular Weight	399.5297
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-1,8,8-TRIMETHYL-3-AZABICYCLO(3.2.1)OCTANE-2,4-DIONE

Structure Search

SMILES

CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN3CCN(CC3)C4=NC=CC=N4)C2=O

InChI

InChIKey=VBIXGNSEGMUAFI-HTAPYJJXSA-N

InChI=1S/C22H33N5O2/c1-21(2)17-7-8-22(21,3)19(29)27(18(17)28)12-5-4-11-25-13-15-26(16-14-25)20-23-9-6-10-24-20/h6,9-10,17H,4-5,7-8,11-16H2,1-3H3/t17-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H33N5O2
Molecular Weight	399.5297
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 `Tue Apr 01 21:11:19 GMT 2025` Edited by `admin` on `Tue Apr 01 21:11:19 GMT 2025`
Record UNII	6WNG4L6AU4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-1,8,8-TRIMETHYL-3-AZABICYCLO(3.2.1)OCTANE-2,4-DIONE

Systematic Name

English

1,8,8-TRIMETHYL-3-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-3-AZABICYCLO(3.2.1)OCTANE-2,4-DIONE

Preferred Name

English

3-AZABICYCLO(3.2.1)OCTANE-2,4-DIONE, 1,8,8-TRIMETHYL-3-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-

Systematic Name

English

Code System Code Type Description

CAS

118293-61-1

Created by admin on Tue Apr 01 21:11:19 GMT 2025 , Edited by admin on Tue Apr 01 21:11:19 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

6WNG4L6AU4

Created by admin on Tue Apr 01 21:11:19 GMT 2025 , Edited by admin on Tue Apr 01 21:11:19 GMT 2025

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PUBCHEM

131801060

Created by admin on Tue Apr 01 21:11:19 GMT 2025 , Edited by admin on Tue Apr 01 21:11:19 GMT 2025

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