Free Chemical Databases
-
[Synonyms]
NSC28097
51660-15-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 200.68846 [g/mol] Molecular Formula C8H9ClN2S XLogP 1.6 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 1 Exact Mass 200.017497 MonoIsotopic Mass 200.017497 Topological Polar Surface Area 25.8 Heavy Atom Count 12 Formal Charge 0 Complexity 167 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: 4-chloro-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidine
Canonical SMILES: CSC1=NC2=C(CCC2)C(=N1)Cl
InChI: InChI=1/C8H9ClN2S/c1-12-8-10-6-4-2-3-5(6)7(9)11-8/h2-4H2,1H3
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