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Details

Stereochemistry UNKNOWN
Molecular Formula C21H31N5O3
Molecular Weight 401.5025
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OXO-N-(4(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-BUTYL)2-OXASPIRO-(4,4)-NONANE-1-CARBOXAMIDE

SMILES

O=C(NCCCCN1CCN(CC1)C2=NC=CC=N2)C3OC(=O)CC34CCCC4

InChI

InChIKey=VHKICJPCWOXGCF-UHFFFAOYSA-N
InChI=1S/C21H31N5O3/c27-17-16-21(6-1-2-7-21)18(29-17)19(28)22-8-3-4-11-25-12-14-26(15-13-25)20-23-9-5-10-24-20/h5,9-10,18H,1-4,6-8,11-16H2,(H,22,28)

HIDE SMILES / InChI

Molecular Formula C21H31N5O3
Molecular Weight 401.5025
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:43 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:43 GMT 2023
Record UNII
Q9RS6A69ZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-OXO-N-(4(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-BUTYL)2-OXASPIRO-(4,4)-NONANE-1-CARBOXAMIDE
Systematic Name English
2-OXASPIRO(4.4)NONANE-1-CARBOXAMIDE, 3-OXO-N-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-
Systematic Name English
Code System Code Type Description
CAS
125498-83-1
Created by admin on Sat Dec 16 08:25:43 GMT 2023 , Edited by admin on Sat Dec 16 08:25:43 GMT 2023
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PUBCHEM
54392178
Created by admin on Sat Dec 16 08:25:43 GMT 2023 , Edited by admin on Sat Dec 16 08:25:43 GMT 2023
PRIMARY
FDA UNII
Q9RS6A69ZC
Created by admin on Sat Dec 16 08:25:43 GMT 2023 , Edited by admin on Sat Dec 16 08:25:43 GMT 2023
PRIMARY