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126265-14-3 | Thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione, 5-amino-1-propyl-
CAS No: 126265-14-3 Catalog No: AG000SGE MDL No:
Product Description
Catalog Number:
AG000SGE
Chemical Name:
Thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione, 5-amino-1-propyl-
CAS Number:
126265-14-3
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
IUPAC Name:
5-amino-1-propylthieno[3,4-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H11N3O2S/c1-2-3-12-5-4-15-7(10)6(5)8(13)11-9(12)14/h4H,2-3,10H2,1H3,(H,11,13,14)
InChI Key:
XIWIEPODUFKPJZ-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)[nH]c(=O)c2c1csc2N
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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