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MDR

Summary
Name:9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE
Formula:C11 H14 N4 O3
Formal charge:0
Formula weight:250.254 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.049-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-9H-purine
OpenEye OEToolkits1.5.0(2R,3S,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)C
SMILES_CANONICALCACTVS3.341Cc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3
SMILESCACTVS3.341Cc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O
SMILESOpenEye OEToolkits1.5.0Cc1c2c(ncn1)n(cn2)C3CC(C(O3)CO)O
InChIInChI1.03InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1
InChIKeyInChI1.03SJXRKKYXNZWKDB-DJLDLDEBSA-N

224201

PDB entries from 2024-08-28

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