DQ2

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Summary

Name:[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
Formula:C15 H23 N10 O4 S
Formal charge:1
Molecular weight:439.473 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H22N10O4S/c16-2-3-19-8(26)1-4-30-15-23-9-12(17)20-6-21-13(9)25(15)14-11(28)10(27)7(29-14)5-22-24-18/h6-7,10-11,14,18,27-28H,1-5,16H2,(H2-,17,19,20,21,26)/p+1/t7-,10-,11-,14-/m1/s1
InChIKeyInChI1.03ZYNCEGIGUGPQHM-FRJWGUMJSA-O
SMILES_CANONICALCACTVS3.385NCCNC(=O)CCSc1nc2c(N)ncnc2n1[C@@H]3O[C@H](CN=[N+]=N)[C@@H](O)[C@H]3O
SMILESCACTVS3.385NCCNC(=O)CCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N
SMILESOpenEye OEToolkits2.0.6c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)C3C(C(C(O3)CN=[N+]=N)O)O)N
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