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1788632-16-5

1788632-16-5 | 3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one dihydrochloride

CAS No: 1788632-16-5 Catalog No: AG01BDJL MDL No:MFCD28064235

Product Description

Catalog Number:
AG01BDJL
Chemical Name:
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one dihydrochloride
CAS Number:
1788632-16-5
Molecular Formula:
C9H15Cl2N3O
Molecular Weight:
252.1409
MDL Number:
MFCD28064235
IUPAC Name:
3-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride
InChI:
InChI=1S/C9H13N3O.2ClH/c1-2-12-6-11-8-5-10-4-3-7(8)9(12)13;;/h6,10H,2-5H2,1H3;2*1H
InChI Key:
WPJMIFYKMKAFNQ-UHFFFAOYSA-N
SMILES:
CCn1cnc2c(c1=O)CCNC2.Cl.Cl

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.139g/mol
Monoisotopic Mass:
251.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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