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Details

Stereochemistry ACHIRAL
Molecular Formula C24H30N6O
Molecular Weight 418.5346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-142731A FREE BASE

SMILES

O=C(CN1C2=C(C=CC=C2)C3=C1N=C(N=C3N4CCCC4)N5CCCC5)N6CCCC6

InChI

InChIKey=UZMWVMXNKZSFIP-UHFFFAOYSA-N
InChI=1S/C24H30N6O/c31-20(27-11-3-4-12-27)17-30-19-10-2-1-9-18(19)21-22(28-13-5-6-14-28)25-24(26-23(21)30)29-15-7-8-16-29/h1-2,9-10H,3-8,11-17H2

HIDE SMILES / InChI

Molecular Formula C24H30N6O
Molecular Weight 418.5346
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 13:58:13 UTC 2023
Edited
by admin
on Sat Dec 16 13:58:13 UTC 2023
Record UNII
A3S8JN8N4I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-142731A FREE BASE
Code English
PNU-142731
Code English
2-(2,4-DI-1-PYRROLIDINYL-9H-PYRIMIDO(4,5-B)INDOL-9-YL)-1-(1-PYRROLIDINYL)ETHANONE
Systematic Name English
ETHANONE, 2-(2,4-DI-1-PYRROLIDINYL-9H-PYRIMIDO(4,5-B)INDOL-9-YL)-1-(1-PYRROLIDINYL)-
Systematic Name English
PNU-2
Code English
Code System Code Type Description
PUBCHEM
9846801
Created by admin on Sat Dec 16 13:58:13 UTC 2023 , Edited by admin on Sat Dec 16 13:58:13 UTC 2023
PRIMARY
CAS
214212-39-2
Created by admin on Sat Dec 16 13:58:13 UTC 2023 , Edited by admin on Sat Dec 16 13:58:13 UTC 2023
PRIMARY
FDA UNII
A3S8JN8N4I
Created by admin on Sat Dec 16 13:58:13 UTC 2023 , Edited by admin on Sat Dec 16 13:58:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID30431747
Created by admin on Sat Dec 16 13:58:13 UTC 2023 , Edited by admin on Sat Dec 16 13:58:13 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT