tert-Butyl 4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.0<sup>2,7</sup>]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-11-carboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H38N8O3
Molecular Weight	546.6638
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl 4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.0<sup>2,7</sup>]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-11-carboxylate

Structure Search

SMILES

CN1CCN(CC1)C2=CN=C(NC3=NC4=C(C=C5N4C6(CCCCC6)CN(C(=O)OC(C)(C)C)C5=O)C=N3)C=C2

InChI

InChIKey=GSKZPWOQYQTTCN-UHFFFAOYSA-N

InChI=1S/C29H38N8O3/c1-28(2,3)40-27(39)36-19-29(10-6-5-7-11-29)37-22(25(36)38)16-20-17-31-26(33-24(20)37)32-23-9-8-21(18-30-23)35-14-12-34(4)13-15-35/h8-9,16-18H,5-7,10-15,19H2,1-4H3,(H,30,31,32,33)

HIDE SMILES / InChI

Molecular Formula	C29H38N8O3
Molecular Weight	546.6638
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:11:27 GMT 2025` Edited by `admin` on `Wed Apr 02 19:11:27 GMT 2025`
Record UNII	GW9YSG5VZQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl 4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.0<sup>2,7</sup>]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-11-carboxylate

Preferred Name

English

Code System Code Type Description

CAS

3041137-12-3

Created by admin on Wed Apr 02 19:11:27 GMT 2025 , Edited by admin on Wed Apr 02 19:11:27 GMT 2025

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PUBCHEM

171651097

Created by admin on Wed Apr 02 19:11:27 GMT 2025 , Edited by admin on Wed Apr 02 19:11:27 GMT 2025

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FDA UNII

GW9YSG5VZQ

Created by admin on Wed Apr 02 19:11:27 GMT 2025 , Edited by admin on Wed Apr 02 19:11:27 GMT 2025

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