KSS

7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine

Created:2010-01-13
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count17
2D diagram of KSS

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Chemical Component Summary

Name7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine
Systematic Name (OpenEye OEToolkits)7-(3,4-dimethoxyphenyl)-5-ethylsulfanyl-imidazo[2,1-f]pyrimidine
FormulaC16 H17 N3 O2 S
Molecular Weight315.39
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352CCSc1nc(cc2nccn12)c3ccc(OC)c(OC)c3
SMILESOpenEye OEToolkits1.7.0CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC
Canonical SMILESCACTVS3.352 CCSc1nc(cc2nccn12)c3ccc(OC)c(OC)c3
Canonical SMILESOpenEye OEToolkits1.7.0 CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC
InChIInChI1.03 InChI=1S/C16H17N3O2S/c1-4-22-16-18-12(10-15-17-7-8-19(15)16)11-5-6-13(20-2)14(9-11)21-3/h5-10H,4H2,1-3H3
InChIKeyInChI1.03 VCAREOFNIBYKAE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 11301507