DU4

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

Created:2011-11-10
Last modified:  2012-08-24

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count3
Bond Count58
Aromatic Bond Count12
2D diagram of DU4

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Chemical Component Summary

Name2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine
Systematic Name (OpenEye OEToolkits)1-[(2R,4S,5R)-5-[[(diphenylmethyl)-methyl-amino]methyl]-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
FormulaC23 H25 N3 O4
Molecular Weight407.462
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CN(C(c3ccccc3)c4ccccc4)C
SMILESCACTVS3.370CN(C[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O)C(c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits1.7.2CN(CC1C(CC(O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4
Canonical SMILESCACTVS3.370 CN(C[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O)C(c3ccccc3)c4ccccc4
Canonical SMILESOpenEye OEToolkits1.7.2 C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4
InChIInChI1.03 InChI=1S/C23H25N3O4/c1-25(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)15-19-18(27)14-21(30-19)26-13-12-20(28)24-23(26)29/h2-13,18-19,21-22,27H,14-15H2,1H3,(H,24,28,29)/t18-,19+,21+/m0/s1
InChIKeyInChI1.03 GMULPQZINUAVEX-QKNQBKEWSA-N

Related Resource References

Resource NameReference
PubChem 60147011