U0S

(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

Created:2020-04-08
Last modified:  2020-04-15

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count32
Aromatic Bond Count6
2D diagram of U0S

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Chemical Component Summary

Name(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
Systematic Name (OpenEye OEToolkits)(5~{S})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane
FormulaC11 H15 N3 O
Molecular Weight205.256
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C3CC2(CN(c1nccnc1)CC2)CO3
SMILESCACTVS3.385C1C[C]2(CCN(C2)c3cnccn3)CO1
SMILESOpenEye OEToolkits2.0.7c1cnc(cn1)N2CCC3(C2)CCOC3
Canonical SMILESCACTVS3.385 C1C[C@]2(CCN(C2)c3cnccn3)CO1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cnc(cn1)N2CC[C@@]3(C2)CCOC3
InChIInChI1.03 InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1
InChIKeyInChI1.03 ITTBXBSSJHVWJS-NSHDSACASA-N

Related Resource References

Resource NameReference
PubChem 97598018