Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 356.57286 [g/mol] Molecular Formula C15H24N4S3 XLogP 4.1 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 8 Tautomer Count 3 Exact Mass 356.116309 MonoIsotopic Mass 356.116309 Topological Polar Surface Area 31.2 Heavy Atom Count 22 Formal Charge 0 Complexity 525 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1,3-dimethyl-8-octylsulfanyl-6-sulfanylpurine-2-thione
Canonical SMILES: CCCCCCCCSC1=NC2=C(N(C(=S)N(C2=N1)C)C)S
InChI: InChI=1/C15H24N4S3/c1-4-5-6-7-8-9-10-22-14-16-11-12(17-14)18(2)15(21)19
(3)13(11)20/h20H,4-10H2,1-3H3
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