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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13N5O
Molecular Weight 219.2431
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-IMINO-1,2,3,6,7,8,9,10-OCTAHYDRO-4H-PYRAZOLO(3',4':4,5)PYRIMIDO(1,2-A)AZEPIN-4-ONE

SMILES

N=C1NNC2=C1C(=O)N3CCCCCC3=N2

InChI

InChIKey=CXKXROBMPLWFQD-UHFFFAOYSA-N
InChI=1S/C10H13N5O/c11-8-7-9(14-13-8)12-6-4-2-1-3-5-15(6)10(7)16/h1-5H2,(H3,11,13,14)

HIDE SMILES / InChI

Molecular Formula C10H13N5O
Molecular Weight 219.2431
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 Sat Dec 16 12:37:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:54 GMT 2023
Record UNII
D8W6GS84KR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-IMINO-1,2,3,6,7,8,9,10-OCTAHYDRO-4H-PYRAZOLO(3',4':4,5)PYRIMIDO(1,2-A)AZEPIN-4-ONE
Systematic Name English
NSC-125004
Code English
4H-PYRAZOLO(3',4':4,5)PYRIMIDO(1,2-A)AZEPIN-4-ONE, 3-AMINO-1,6,7,8,9,10-HEXAHYDRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40178651
Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023
PRIMARY
NSC
125004
Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023
PRIMARY
PUBCHEM
276694
Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023
PRIMARY
CAS
23942-32-7
Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023
PRIMARY
FDA UNII
D8W6GS84KR
Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023
PRIMARY