Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 192.17472 [g/mol] Molecular Formula C8H8N4O2 XLogP -1.2 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 0 Tautomer Count 9 Exact Mass 192.064726 MonoIsotopic Mass 192.064726 Topological Polar Surface Area 82.9 Heavy Atom Count 14 Formal Charge 0 Complexity 431 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: 6,7-dimethyl-8H-pteridine-2,4-dione
Canonical SMILES: CC1=C(N=C2C(=NC(=O)NC2=O)N1)C
InChI: InChI=1/C8H8N4O2/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,
12,13,14)/f/h10,12H
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