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89018-87-1 | 1H-Purinium, 6,9-dihydro-6-(methoxyimino)-1,7,9-trimethyl-, iodide
CAS No: 89018-87-1 Catalog No: AG0088BL MDL No:
Product Description
Catalog Number:
AG0088BL
Chemical Name:
1H-Purinium, 6,9-dihydro-6-(methoxyimino)-1,7,9-trimethyl-, iodide
CAS Number:
89018-87-1
Molecular Formula:
C9H16IN5O
Molecular Weight:
337.1607
IUPAC Name:
N-methoxy-1,7,9-trimethyl-1,8-dihydropurin-1-ium-6-imine;iodide
InChI:
InChI=1S/C9H15N5O.HI/c1-12-5-10-8-7(9(12)11-15-4)13(2)6-14(8)3;/h5H,6H2,1-4H3;1H
InChI Key:
ATTBZABTEZLRAE-UHFFFAOYSA-N
SMILES:
CON=C1[NH+](C)C=NC2=C1N(C)CN2C.[I-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.165g/mol
Monoisotopic Mass:
337.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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