U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClN4O3
Molecular Weight 388.848
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORODENAFIL

SMILES

CCCC1=NN(C)C2=C1NC(=NC2=O)C3=C(OCC)C=CC(=C3)C(=O)CCl

InChI

InChIKey=UOJGGFDIPKRVTP-UHFFFAOYSA-N
InChI=1S/C19H21ClN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9H,4-6,10H2,1-3H3,(H,21,22,26)

HIDE SMILES / InChI

Molecular Formula C19H21ClN4O3
Molecular Weight 388.848
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 10:20:08 GMT 2023
Edited
by admin
on Sat Dec 16 10:20:08 GMT 2023
Record UNII
4BQX9L0FU5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORODENAFIL
Common Name English
7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE, 5-(5-(2-CHLOROACETYL)-2-ETHOXYPHENYL)-1,6-DIHYDRO-1-METHYL-3-PROPYL-
Systematic Name English
Code System Code Type Description
FDA UNII
4BQX9L0FU5
Created by admin on Sat Dec 16 10:20:08 GMT 2023 , Edited by admin on Sat Dec 16 10:20:08 GMT 2023
PRIMARY
CAS
1058653-74-9
Created by admin on Sat Dec 16 10:20:08 GMT 2023 , Edited by admin on Sat Dec 16 10:20:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID20747329
Created by admin on Sat Dec 16 10:20:08 GMT 2023 , Edited by admin on Sat Dec 16 10:20:08 GMT 2023
PRIMARY
PUBCHEM
135564533
Created by admin on Sat Dec 16 10:20:08 GMT 2023 , Edited by admin on Sat Dec 16 10:20:08 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY