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606096-47-3

606096-47-3 | 7H-Purine-7-acetamide,1,2,3,6-tetrahydro-N-(5-methoxy-8-quinolinyl)-1,3-dimethyl-2,6-dioxo-(9CI)

CAS No: 606096-47-3 Catalog No: AG00EXOS MDL No:

Product Description

Catalog Number:
AG00EXOS
Chemical Name:
7H-Purine-7-acetamide,1,2,3,6-tetrahydro-N-(5-methoxy-8-quinolinyl)-1,3-dimethyl-2,6-dioxo-(9CI)
CAS Number:
606096-47-3
IUPAC Name:
2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)-N-(5-methoxyquinolin-8-yl)acetamide
InChI:
InChI=1S/C19H18N6O4/c1-23-17-16(18(27)24(2)19(23)28)25(10-21-17)9-14(26)22-12-6-7-13(29-3)11-5-4-8-20-15(11)12/h4-8,10,16H,9H2,1-3H3/p+1
InChI Key:
ZSVLPTZZBHMLBY-UHFFFAOYSA-O

Properties

Complexity:
781  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.147g/mol
Formal Charge:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
395.399g/mol
Monoisotopic Mass:
395.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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