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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18N6O3.2ClH
Molecular Weight 463.317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-61-3606

SMILES

Cl.Cl.COC1=CC=C(C=C1OC)C2=CC3=NC=CN3C(NC4=NC=CC=C4C(N)=O)=N2

InChI

InChIKey=SPMFEULFGGPQLN-UHFFFAOYSA-N
InChI=1S/C20H18N6O3.2ClH/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19;;/h3-11H,1-2H3,(H2,21,27)(H,23,24,25);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H18N6O3
Molecular Weight 390.3953
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 09:44:18 UTC 2023
Edited
by admin
on Sat Dec 16 09:44:18 UTC 2023
Record UNII
96PPV9GQ7A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-61-3606
Common Name English
3-PYRIDINECARBOXAMIDE, 2-((7-(3,4-DIMETHOXYPHENYL)IMIDAZO(1,2-C)PYRIMIDIN-5-YL)AMINO)-, HYDROCHLORIDE (1:2)
Systematic Name English
3-PYRIDINECARBOXAMIDE, 2-((7-(3,4-DIMETHOXYPHENYL)IMIDAZO(1,2-C)PYRIMIDIN-5-YL)AMINO)-, DIHYDROCHLORIDE
Brand Name English
Code System Code Type Description
EPA CompTox
DTXSID20215179
Created by admin on Sat Dec 16 09:44:18 UTC 2023 , Edited by admin on Sat Dec 16 09:44:18 UTC 2023
PRIMARY
CAS
648903-57-5
Created by admin on Sat Dec 16 09:44:18 UTC 2023 , Edited by admin on Sat Dec 16 09:44:18 UTC 2023
PRIMARY
PUBCHEM
11784504
Created by admin on Sat Dec 16 09:44:18 UTC 2023 , Edited by admin on Sat Dec 16 09:44:18 UTC 2023
PRIMARY
FDA UNII
96PPV9GQ7A
Created by admin on Sat Dec 16 09:44:18 UTC 2023 , Edited by admin on Sat Dec 16 09:44:18 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY