DU3

2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine

Created:2011-08-18
Last modified:  2012-08-24

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count3
Bond Count55
Aromatic Bond Count12
2D diagram of DU3

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Chemical Component Summary

Name2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine
Systematic Name (OpenEye OEToolkits)1-[(2R,4S,5R)-5-[[(diphenylmethyl)amino]methyl]-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
FormulaC22 H23 N3 O4
Molecular Weight393.436
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)c4ccccc4
SMILESCACTVS3.370O[CH]1C[CH](O[CH]1CNC(c2ccccc2)c3ccccc3)N4C=CC(=O)NC4=O
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)C(c2ccccc2)NCC3C(CC(O3)N4C=CC(=O)NC4=O)O
Canonical SMILESCACTVS3.370 O[C@H]1C[C@@H](O[C@@H]1CNC(c2ccccc2)c3ccccc3)N4C=CC(=O)NC4=O
Canonical SMILESOpenEye OEToolkits1.7.2 c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O
InChIInChI1.03 InChI=1S/C22H23N3O4/c26-17-13-20(25-12-11-19(27)24-22(25)28)29-18(17)14-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,20-21,23,26H,13-14H2,(H,24,27,28)/t17-,18+,20+/m0/s1
InChIKeyInChI1.03 JJVBLAPDVHVENR-NLWGTHIKSA-N

Related Resource References

Resource NameReference
PubChem 54753440
ChEMBL CHEMBL2420340