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BVD

Summary
Name:5-BROMOVINYLDEOXYURIDINE
Formula:C11 H13 Br N2 O5
Formal charge:0
Formula weight:333.135 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-[(E)-2-bromoethenyl]-2'-deoxyuridine
OpenEye OEToolkits1.5.05-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(\C=C\Br)C(=O)NC2=O
SMILESCACTVS3.341OC[CH]1O[CH](C[CH]1O)N2C=C(C=CBr)C(=O)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O
InChIInChI1.03InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1
InChIKeyInChI1.03ODZBBRURCPAEIQ-PIXDULNESA-N

218853

PDB entries from 2024-04-24

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