Home Other Building Blocks 2-[(piperazin-1-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one dihydrochloride

2-[(piperazin-1-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one dihydrochloride

CAS No.:
2032665-26-0
Catalog Number:
AG01DZ8Z
Molecular Formula:
C11H16Cl2N4OS
Molecular Weight:
323.2419
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Product Description
Catalog Number:
AG01DZ8Z
Chemical Name:
2-[(piperazin-1-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one dihydrochloride
CAS Number:
2032665-26-0
Molecular Formula:
C11H16Cl2N4OS
Molecular Weight:
323.2419
MDL Number:
MFCD31666824
IUPAC Name:
2-(piperazin-1-ylmethyl)-4aH-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
InChI:
InChI=1S/C11H14N4OS.2ClH/c16-11-10-8(1-6-17-10)13-9(14-11)7-15-4-2-12-3-5-15;;/h1,6,10,12H,2-5,7H2;2*1H
InChI Key:
VGCIYCGQQZMICN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(CN2CCNCC2)nc2c1scc2.Cl.Cl
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.042g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
323.236g/mol
Monoisotopic Mass:
322.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties