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86870-56-6 | Thiazolo[3,2-a]purin-9-ol, 6,7-dihydro-
CAS No: 86870-56-6 Catalog No: AG004PH4 MDL No:
Product Description
Catalog Number:
AG004PH4
Chemical Name:
Thiazolo[3,2-a]purin-9-ol, 6,7-dihydro-
CAS Number:
86870-56-6
Molecular Formula:
C7H6N4OS
Molecular Weight:
194.2137
IUPAC Name:
6,7-dihydro-1H-[1,3]thiazolo[3,2-a]purin-9-one
InChI:
InChI=1S/C7H6N4OS/c12-6-4-5(9-3-8-4)10-7-11(6)1-2-13-7/h3H,1-2H2,(H,8,9)
InChI Key:
LBXGLUYIOAXKBU-UHFFFAOYSA-N
SMILES:
Oc1n2CCSc2nc2c1ncn2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.212g/mol
Monoisotopic Mass:
194.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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