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AR3

Summary
Name:CYTARABINE
Synonyms:1-BETA-D-ARABINOFURANOSYLCYTOSINE
ARA-C
Formula:C9 H13 N3 O5
Formal charge:0
Formula weight:243.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one
OpenEye OEToolkits1.5.04-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O
SMILESCACTVS3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
InChIInChI1.03InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
InChIKeyInChI1.03UHDGCWIWMRVCDJ-CCXZUQQUSA-N

217705

PDB entries from 2024-03-27

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