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T3S

Summary
Name:5'-deoxy-5'-piperidin-1-ylthymidine
Formula:C15 H23 N3 O4
Formal charge:0
Formula weight:309.361 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045'-deoxy-5'-piperidin-1-ylthymidine
OpenEye OEToolkits1.5.01-[(2R,4S,5R)-4-hydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCCC3
SMILES_CANONICALCACTVS3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CN3CCCCC3)O2)C(=O)NC1=O
SMILESCACTVS3.341CC1=CN([CH]2C[CH](O)[CH](CN3CCCCC3)O2)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3CCCCC3)O
InChIInChI1.03InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1
InChIKeyInChI1.03GMOUOGHZJCSNOZ-YNEHKIRRSA-N

219869

PDB entries from 2024-05-15

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