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U2S

Summary
Name:1-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:C13 H19 N3 O6
Formal charge:0
Formula weight:313.306 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.01-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCOCC3
SMILES_CANONICALCACTVS3.341O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CN2CCOCC2)N3C=CC(=O)NC3=O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O[CH]1CN2CCOCC2)N3C=CC(=O)NC3=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
SMILESOpenEye OEToolkits1.5.0C1COCCN1CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
InChIInChI1.03InChI=1S/C13H19N3O6/c17-9-1-2-16(13(20)14-9)12-11(19)10(18)8(22-12)7-15-3-5-21-6-4-15/h1-2,8,10-12,18-19H,3-7H2,(H,14,17,20)/t8-,10-,11+,12+/m0/s1
InChIKeyInChI1.03LZYQLCIKQTYBER-OHBODLIOSA-N

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건을2024-07-17부터공개중

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