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Details

Stereochemistry ACHIRAL
Molecular Formula C34H30N8O2
Molecular Weight 582.6544
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WMC-42

SMILES

CN(CCCNC1=CC=C2N=CN3C2=C1C(=O)C4=C3C=CC=C4)CCCNC5=CC=C6N=NN7C6=C5C(=O)C8=C7C=CC=C8

InChI

InChIKey=FGWARXSCGJFBCM-UHFFFAOYSA-N
InChI=1S/C34H30N8O2/c1-40(18-6-16-35-23-12-14-25-31-29(23)33(43)21-8-2-4-10-27(21)41(31)20-37-25)19-7-17-36-24-13-15-26-32-30(24)34(44)22-9-3-5-11-28(22)42(32)39-38-26/h2-5,8-15,20,35-36H,6-7,16-19H2,1H3

HIDE SMILES / InChI

Molecular Formula C34H30N8O2
Molecular Weight 582.6544
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 Tue Apr 01 19:40:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:41 GMT 2025
Record UNII
DQ8Y46QG9Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-682402
Preferred Name English
WMC-42
Code English
6H-(1,2,3)TRIAZOLO(4,5,1-DE)ACRIDIN-6-ONE, 5-((3-(METHYL(3-((6-OXO-6H-IMIDAZO(4,5,1-DE)ACRIDIN-5-YL)AMINO)PROPYL)AMINO)PROPYL)AMINO)-
Systematic Name English
5-((3-(METHYL(3-((6-OXO-6H-IMIDAZO(4,5,1-DE)ACRIDIN-5-YL)AMINO)PROPYL)AMINO)PROPYL)AMINO)-6H-(1,2,3)TRIAZOLO(4,5,1-DE)ACRIDIN-6-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
DQ8Y46QG9Y
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
CAS
166756-63-4
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
PUBCHEM
457408
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
NSC
682402
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID20168171
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY