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1018-54-8 | 1H-Purine-2,6-dione, 3,7-dihydro-7-methoxy-1,3,8-trimethyl-
CAS No: 1018-54-8 Catalog No: AG0005LN MDL No:
Product Description
Catalog Number:
AG0005LN
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-7-methoxy-1,3,8-trimethyl-
CAS Number:
1018-54-8
Molecular Formula:
C9H12N4O3
Molecular Weight:
224.2166
IUPAC Name:
7-methoxy-1,3,8-trimethylpurine-2,6-dione
InChI:
InChI=1S/C9H12N4O3/c1-5-10-7-6(13(5)16-4)8(14)12(3)9(15)11(7)2/h1-4H3
InChI Key:
VSVRDOURTVSTID-UHFFFAOYSA-N
SMILES:
COn1c(C)nc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.22g/mol
Monoisotopic Mass:
224.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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