Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 254.34852 [g/mol] Molecular Formula C12H18N2O2S XLogP 2.7 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 4 Tautomer Count 3 Exact Mass 254.108899 MonoIsotopic Mass 254.108899 Topological Polar Surface Area 49.7 Heavy Atom Count 17 Formal Charge 0 Complexity 390 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-ethyl-5-prop-1-enyl-5-propyl-2-sulfanylpyrimidine-4,6-dione
Canonical SMILES: CCCC1(C(=O)N=C(N(C1=O)CC)S)C=CC
InChI: InChI=1/C12H18N2O2S/c1-4-7-12(8-5-2)9(15)13-11(17)14(6-3)10(12)16/h4,7H,
5-6,8H2,1-3H3,(H,13,15,17)/f/h17H
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