6UY

[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate

Created:2016-06-29
Last modified:  2016-11-16

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count18
2D diagram of 6UY

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Chemical Component Summary

Name[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
Systematic Name (OpenEye OEToolkits)[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
FormulaC19 H15 F N4 O3
Molecular Weight366.346
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1nccnc1C(=O)O[CH](C(=O)Nc2ccc(F)cc2)c3ccccc3
SMILESOpenEye OEToolkits2.0.5c1ccc(cc1)C(C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N
Canonical SMILESCACTVS3.385 Nc1nccnc1C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.5 c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N
InChIInChI1.03 InChI=1S/C19H15FN4O3/c20-13-6-8-14(9-7-13)24-18(25)16(12-4-2-1-3-5-12)27-19(26)15-17(21)23-11-10-22-15/h1-11,16H,(H2,21,23)(H,24,25)/t16-/m1/s1
InChIKeyInChI1.03 PCBMXBZZXJYVCE-MRXNPFEDSA-N

Related Resource References

Resource NameReference
PubChem 41911206