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10226-59-2 | 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(6-oxoheptyl)-
CAS No: 10226-59-2 Catalog No: AG00072E MDL No:
Product Description
Catalog Number:
AG00072E
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(6-oxoheptyl)-
CAS Number:
10226-59-2
Molecular Formula:
C14H20N4O3
Molecular Weight:
292.3336
IUPAC Name:
3,7-dimethyl-1-(6-oxoheptyl)purine-2,6-dione
InChI:
InChI=1S/C14H20N4O3/c1-10(19)7-5-4-6-8-18-13(20)11-12(15-9-16(11)2)17(3)14(18)21/h9H,4-8H2,1-3H3
InChI Key:
AFYDQCTVFDKATD-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCCn1c(=O)c2n(C)cnc2n(c1=O)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.339g/mol
Monoisotopic Mass:
292.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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