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1143-30-2 | 1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3,7-dimethyl-
CAS No: 1143-30-2 Catalog No: AG000B11 MDL No:
Product Description
Catalog Number:
AG000B11
Chemical Name:
1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3,7-dimethyl-
CAS Number:
1143-30-2
Molecular Formula:
C11H16N4O2
Molecular Weight:
236.2703
IUPAC Name:
1-butyl-3,7-dimethylpurine-2,6-dione
InChI:
InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
InChI Key:
ZCUPBJOZMPROIJ-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)c2n(C)cnc2n(c1=O)C
UNII:
AMU665LKFR
NSC Number:
3111
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.275g/mol
Monoisotopic Mass:
236.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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