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86180-38-3 | 1H-Purinium, 2,3,6,9-tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-, iodide
CAS No: 86180-38-3 Catalog No: AG004OL2 MDL No:
Product Description
Catalog Number:
AG004OL2
Chemical Name:
1H-Purinium, 2,3,6,9-tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-, iodide
CAS Number:
86180-38-3
Molecular Formula:
C9H15IN4O2
Molecular Weight:
338.1455
IUPAC Name:
1,3,7,9-tetramethyl-8H-purin-1-ium-2,6-dione;iodide
InChI:
InChI=1S/C9H14N4O2.HI/c1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3;/h5H2,1-4H3;1H
InChI Key:
SGKAOZHNBSHDJX-UHFFFAOYSA-N
SMILES:
CN1CN(C2=C1N(C)C(=O)[NH+](C2=O)C)C.[I-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.149g/mol
Monoisotopic Mass:
338.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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