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1024-65-3 | 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(3-methylbutyl)-
CAS No: 1024-65-3 Catalog No: AG0007DC MDL No:
Product Description
Catalog Number:
AG0007DC
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(3-methylbutyl)-
CAS Number:
1024-65-3
Molecular Formula:
C12H18N4O2
Molecular Weight:
250.2969
IUPAC Name:
3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione
InChI:
InChI=1S/C12H18N4O2/c1-8(2)5-6-16-11(17)9-10(13-7-14(9)3)15(4)12(16)18/h7-8H,5-6H2,1-4H3
InChI Key:
VLJKEQVJDMCCRE-UHFFFAOYSA-N
SMILES:
CC(CCn1c(=O)c2n(C)cnc2n(c1=O)C)C
UNII:
63US8C0W8J
NSC Number:
3112
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.302g/mol
Monoisotopic Mass:
250.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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