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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22BrN5O3
Molecular Weight 472.335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-1,6-DIHYDRO-6-OXO-5-PYRIMIDINYL)METHYL)-

SMILES

CC1=C(CCCCNC2=NC(=O)C(CC3=CN=C(C=C3)C(O)=O)=CN2)N=CC(Br)=C1

InChI

InChIKey=LQPKWLSQJLCYSN-UHFFFAOYSA-N
InChI=1S/C21H22BrN5O3/c1-13-8-16(22)12-25-17(13)4-2-3-7-23-21-26-11-15(19(28)27-21)9-14-5-6-18(20(29)30)24-10-14/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,29,30)(H2,23,26,27,28)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-1,6-DIHYDRO-6-OXO-5-PYRIMIDINYL)METHYL)-
Systematic Name English
SKF 95757
Code English
93944-MET-V
Code English
2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-1,4-DIHYDRO-4-OXO-5-PYRIMIDINYL)METHYL)-
Systematic Name English
SK&F 95757
Code English
TEMELASTINE METABOLITE M5
Common Name English
Code System Code Type Description
PUBCHEM
146014888
Created by admin on Sat Dec 16 15:39:21 GMT 2023 , Edited by admin on Sat Dec 16 15:39:21 GMT 2023
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FDA UNII
C0ZWX7SA7K
Created by admin on Sat Dec 16 15:39:21 GMT 2023 , Edited by admin on Sat Dec 16 15:39:21 GMT 2023
PRIMARY
CAS
130177-38-7
Created by admin on Sat Dec 16 15:39:21 GMT 2023 , Edited by admin on Sat Dec 16 15:39:21 GMT 2023
PRIMARY