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10226-60-5 | 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(4-oxopentyl)-
CAS No: 10226-60-5 Catalog No: AG00072D MDL No:
Product Description
Catalog Number:
AG00072D
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(4-oxopentyl)-
CAS Number:
10226-60-5
Molecular Formula:
C12H16N4O3
Molecular Weight:
264.2804
IUPAC Name:
3,7-dimethyl-1-(4-oxopentyl)purine-2,6-dione
InChI:
InChI=1S/C12H16N4O3/c1-8(17)5-4-6-16-11(18)9-10(13-7-14(9)2)15(3)12(16)19/h7H,4-6H2,1-3H3
InChI Key:
NSVYGIIKCJGYIO-UHFFFAOYSA-N
SMILES:
CC(=O)CCCn1c(=O)c2n(C)cnc2n(c1=O)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.285g/mol
Monoisotopic Mass:
264.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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