6ZH

[[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium

Created: 2016-07-30
Last modified:  2017-06-21

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Chemical Details

Formal Charge1
Atom Count43
Chiral Atom Count4
Bond Count45
Aromatic Bond Count10
2D diagram of 6ZH
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Chemical Component Summary

Name[[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium
Systematic Name (OpenEye OEToolkits)[[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium
FormulaC13 H19 N8 O3
Molecular Weight335.342
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NC(=[NH2+])NCC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILESOpenEye OEToolkits2.0.5c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C=CCNC(=[NH2+])N)O)O)N
Canonical SMILESCACTVS3.385 NC(=[NH2+])NC/C=C/[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILESOpenEye OEToolkits2.0.5 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=[NH2+])N)O)O)N
InChIInChI1.03 InChI=1S/C13H18N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h1-2,4-6,8-9,12,22-23H,3H2,(H2,14,18,19)(H4,15,16,17)/p+1/b2-1+/t6-,8-,9-,12-/m1/s1
InChIKeyInChI1.03 FHVPFJNCKGYEAI-PVCWFOJLSA-O

Related Resource References

Resource NameReference
PubChem 129009660