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Substance Name: 2,4(1H,3H)-Pyrimidinedione, 5-chloro-1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-
RN: 133488-21-8
InChIKey: NJUINJHDMPWBBU-BDXSIMOUSA-N

Molecular Formula

  • C22-H20-Cl-N3-O9

Molecular Weight

  • 505.865
 
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Names and Synonyms

Synonym

  • 1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-alpha-D-arabino-hexofuranosyl)-5-chlorouracil

Systematic Name

  • 2,4(1H,3H)-Pyrimidinedione, 5-chloro-1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-

Registry Numbers

CAS Registry Number

  • 133488-21-8

System Generated Number

  • 0133488218

Structure Descriptors

InChI

1S/C22H20ClN3O9/c1-10(27)33-9-16(34-11(2)28)18-15(26-20(30)12-5-3-4-6-13(12)21(26)31)7-17(35-18)25-8-14(23)19(29)24-22(25)32/h3-6,8,15-18H,7,9H2,1-2H3,(H,24,29,32)/t15-,16-,17+,18+/m1/s1

InChIKey

NJUINJHDMPWBBU-BDXSIMOUSA-N

Smiles

CC(=O)OC[C@H]([C@@H]1[C@@H](C[C@H](O1)n2cc(c(=O)[nH]c2=O)Cl)N3C(=O)c4ccccc4C3=O)OC(=O)C