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Details

Stereochemistry ACHIRAL
Molecular Formula C18H23N3O3
Molecular Weight 329.3935
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUQUITERINE

SMILES

COC1=CC2=C(C=C1OC)C3=CC(NC(C)(C)C)=NC(=O)N3CC2

InChI

InChIKey=HCUWPRQGBLLKAF-UHFFFAOYSA-N
InChI=1S/C18H23N3O3/c1-18(2,3)20-16-10-13-12-9-15(24-5)14(23-4)8-11(12)6-7-21(13)17(22)19-16/h8-10H,6-7H2,1-5H3,(H,19,20,22)

HIDE SMILES / InChI
Name Type Language
BUQUITERINE
INN  
INN  
Official Name English
2-(TERT-BUTYLAMINO)-6,7-DIHYDRO-9,10-DIMETHOXY-4H-PYRIMIDO(6,1-A)ISOQUINOLIN-4-ONE
Systematic Name English
buquiterine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C277
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C73159
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
EVMPD
SUB05988MIG
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
SMS_ID
100000088451
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
FDA UNII
49YNN75I8N
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
PUBCHEM
189886
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID90227345
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106128
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
CAS
76536-74-8
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY
INN
5715
Created by admin on Sat Dec 16 16:17:42 GMT 2023 , Edited by admin on Sat Dec 16 16:17:42 GMT 2023
PRIMARY