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89334-03-2 | 2,4(1H,3H)-Pteridinedione, 1,3,6-trimethyl-7-[(1-methylethyl)sulfinyl]-
CAS No: 89334-03-2 Catalog No: AG003ZGW MDL No:
Product Description
Catalog Number:
AG003ZGW
Chemical Name:
2,4(1H,3H)-Pteridinedione, 1,3,6-trimethyl-7-[(1-methylethyl)sulfinyl]-
CAS Number:
89334-03-2
Molecular Formula:
C12H16N4O3S
Molecular Weight:
296.3454
IUPAC Name:
1,3,6-trimethyl-7-propan-2-ylsulfinylpteridine-2,4-dione
InChI:
InChI=1S/C12H16N4O3S/c1-6(2)20(19)10-7(3)13-8-9(14-10)15(4)12(18)16(5)11(8)17/h6H,1-5H3
InChI Key:
JAADHDAAULQRHC-UHFFFAOYSA-N
SMILES:
CC(S(=O)c1nc2n(C)c(=O)n(c(=O)c2nc1C)C)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.345g/mol
Monoisotopic Mass:
296.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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