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

Details

Stereochemistry RACEMIC
Molecular Formula C31H39N5O3
Molecular Weight 529.6731
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2,4-BIS(1-METHYLETHYL)-3-(1,2-DIHYDRO)PYRIDINYL)-N'-(1-BUTYL-1,2-DIHYDRO-4-(3-METHOXYPHENYL)-2-OXO-1,8-NAPHTHYRIDIN-3-YL)UREA

SMILES

CCCCN1C(=O)C(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)=C(C3=CC(OC)=CC=C3)C4=C1N=CC=C4

InChI

InChIKey=XUYCMDWYHREGCL-UHFFFAOYSA-N
InChI=1S/C31H39N5O3/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5/h9-16,18-20,26,32H,7-8,17H2,1-6H3,(H2,34,35,38)

HIDE SMILES / InChI

Molecular Formula C31H39N5O3
Molecular Weight 529.6731
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:24:26 GMT 2023
Edited
by admin
on Sat Dec 16 09:24:26 GMT 2023
Record UNII
U5V894235P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2,4-BIS(1-METHYLETHYL)-3-(1,2-DIHYDRO)PYRIDINYL)-N'-(1-BUTYL-1,2-DIHYDRO-4-(3-METHOXYPHENYL)-2-OXO-1,8-NAPHTHYRIDIN-3-YL)UREA
Common Name English
1-(2,4-BIS(PROPAN-2-YL)-1,2-DIHYDROPYRIDIN-3-YL)-3-(1-BUTYL-4-(3-METHOXYPHENYL)-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDIN-3-YL)UREA
Systematic Name English
Code System Code Type Description
FDA UNII
U5V894235P
Created by admin on Sat Dec 16 09:24:26 GMT 2023 , Edited by admin on Sat Dec 16 09:24:26 GMT 2023
PRIMARY
PUBCHEM
73755235
Created by admin on Sat Dec 16 09:24:26 GMT 2023 , Edited by admin on Sat Dec 16 09:24:26 GMT 2023
PRIMARY