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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N4O4
Molecular Weight 356.3758
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETIL ACID

SMILES

CCCC1=NN(C)C2=C1N=C(NC2=O)C3=CC(=CC=C3OCC)C(O)=O

InChI

InChIKey=UUNWDXYDLDBMRV-UHFFFAOYSA-N
InChI=1S/C18H20N4O4/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(18(24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,24,25)(H,19,20,23)

HIDE SMILES / InChI

Molecular Formula C18H20N4O4
Molecular Weight 356.3758
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 10:14:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:49 GMT 2023
Record UNII
48U6WC1H35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETIL ACID
Common Name English
BENZOIC ACID, 3-(6,7-DIHYDRO-1-METHYL-7-OXO-3-PROPYL-1H-PYRAZOLO(4,3-D)PYRIMIDIN-5-YL)-4-ETHOXY-
Systematic Name English
3-(6,7-DIHYDRO-1-METHYL-7-OXO-3-PROPYL-1H-PYRAZOLO(4,3-D)PYRIMIDIN-5-YL)-4-ETHOXYBENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(4,7-DIHYDRO-1-METHYL-7-OXO-3-PROPYL-1H-PYRAZOLO(4,3-D)PYRIMIDIN-5-YL)-4-ETHOXY-
Systematic Name English
5-(5-CARBOXY-2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
135565085
Created by admin on Sat Dec 16 10:14:49 GMT 2023 , Edited by admin on Sat Dec 16 10:14:49 GMT 2023
PRIMARY
FDA UNII
48U6WC1H35
Created by admin on Sat Dec 16 10:14:49 GMT 2023 , Edited by admin on Sat Dec 16 10:14:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID90611629
Created by admin on Sat Dec 16 10:14:49 GMT 2023 , Edited by admin on Sat Dec 16 10:14:49 GMT 2023
PRIMARY
CAS
147676-78-6
Created by admin on Sat Dec 16 10:14:49 GMT 2023 , Edited by admin on Sat Dec 16 10:14:49 GMT 2023
PRIMARY