Home > Product Catalog > Product category > Nucleoside > 5-[2-[1-(2-Deoxy-β-D-erythro-pentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]ethynyl]-2-[(1E,3E)-3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-3H-indolium

5-[2-[1-(2-Deoxy-β-D-erythro-pentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]ethynyl]-2-[(1E,3E)-3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-3H-indolium

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Catalog No. : NC419736

CAS No. : 1033691-83-6

Product Level :

Brand : NewCan Bio

Molecular Formula : C₃₆H₃₉N₄O₅

Chemical Name : 5-[2-[1-(2-Deoxy-β-D-erythro-pentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]ethynyl]-2-[(1E,3E)-3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-3H-indolium

Molecular Weight : 607.72

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Basic information

Standard English name
Cas No.	1033691-83-6
Alias	5-((1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethynyl)-1,3,3-trimethyl-2-((E)-3-((E)-1,3,3-trimethylindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium
Canonical Smiles	CN1C2C=CC=CC=2C(C)(C)/C/1=C\C=C\C1=[N+](C)C2C=CC(=CC=2C1(C)C)C#CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
MDL No.
Exact Mass	607.29205
Smiles	CC1(C)C(/C=C/C=C2N(C)C3=C(C=CC=C3)C/2(C)C)=[N+](C)C4=C1C=C(C#CC5=CN([C@H]6C[C@@H]([C@@H](CO)O6)O)C(NC5=O)=O)C=C4

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Inchi	InChI=1S/C36H38N4O5/c1-35(2)24-10-7-8-11-26(24)38(5)30(35)12-9-13-31-36(3,4)25-18-22(15-17-27(25)39(31)6)14-16-23-20-40(34(44)37-33(23)43)32-19-28(42)29(21-41)45-32/h7-13,15,17-18,20,28-29,32,41-42H,19,21H2,1-6H3/p+1/t28-,29+,32+/m0/s1
InchiKey	QVFKWZDDLNJGPL-NPLMNSEMSA-O
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History

NC422887

1-[(5aS,6R,7R,8aR)-6-(Acetyloxy)-5a,6,8a,9-tetrahydro-4H,7H-furo[2,3-f][1,2,3]triazolo[5,1-c][1,4]oxazepin-7-yl]-2,4(1H,3H)-pyrimidinedione