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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22N4
Molecular Weight 282.3834
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-04479745

SMILES

CNC1=NC(CC2=CC=CC=C2)=NC3=C1CCNC[C@@H]3C

InChI

InChIKey=IHHALLDEDARSAL-LBPRGKRZSA-N
InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H22N4
Molecular Weight 282.3834
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:08:23 UTC 2023
Edited
by admin
on Sat Dec 16 18:08:23 UTC 2023
Record UNII
73HBY5P486
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-04479745
Code English
PF04479745
Code English
(9S)-6,7,8,9-TETRAHYDRO-N,9-DIMETHYL-2-(PHENYLMETHYL)-5H-PYRIMIDO(4,5-D)AZEPIN-4-AMINE
Systematic Name English
5H-PYRIMIDO(4,5-D)AZEPIN-4-AMINE, 6,7,8,9-TETRAHYDRO-N,9-DIMETHYL-2-(PHENYLMETHYL)-, (9S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701336532
Created by admin on Sat Dec 16 18:08:23 UTC 2023 , Edited by admin on Sat Dec 16 18:08:23 UTC 2023
PRIMARY
CAS
1065110-43-1
Created by admin on Sat Dec 16 18:08:23 UTC 2023 , Edited by admin on Sat Dec 16 18:08:23 UTC 2023
PRIMARY
WIKIPEDIA
PF-04479745
Created by admin on Sat Dec 16 18:08:23 UTC 2023 , Edited by admin on Sat Dec 16 18:08:23 UTC 2023
PRIMARY
PUBCHEM
90644511
Created by admin on Sat Dec 16 18:08:23 UTC 2023 , Edited by admin on Sat Dec 16 18:08:23 UTC 2023
PRIMARY
FDA UNII
73HBY5P486
Created by admin on Sat Dec 16 18:08:23 UTC 2023 , Edited by admin on Sat Dec 16 18:08:23 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY