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103814-80-8 | 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-thiazolidinylmethyl)-
CAS No: 103814-80-8 Catalog No: AG007FR7 MDL No:
Product Description
Catalog Number:
AG007FR7
Chemical Name:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-thiazolidinylmethyl)-
CAS Number:
103814-80-8
Molecular Formula:
C11H15N5O2S
Molecular Weight:
281.3341
IUPAC Name:
1,3-dimethyl-7-(1,3-thiazolidin-2-ylmethyl)purine-2,6-dione
InChI:
InChI=1S/C11H15N5O2S/c1-14-9-8(10(17)15(2)11(14)18)16(6-13-9)5-7-12-3-4-19-7/h6-7,12H,3-5H2,1-2H3
InChI Key:
SYXXIOHDIHFIDC-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(C)c2c(c1=O)n(cn2)CC1NCCS1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.334g/mol
Monoisotopic Mass:
281.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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