(Q82637801)

English

5-[2-Amino-3,5-dicyano-6-(phenylsulfanyl)pyridin-4-yl]-1-[(3xi)-3,5-di-O-acetyl-2-deoxy-beta-D-glycero-pentofuranosyl]pyrimidine-2,4(1H,3H)-dione

group of stereoisomers with the chemical formula C₂₆H₂₂N₆O₇S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

562.1270680440001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₂N₆O₇S

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OCC1OC(n2cc(-c3c(C#N)c(Sc4ccccc4)[nH]c(=N)c3C#N)c(O)nc2=O)CC1OC(C)=O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)OC[C@H]1O[C@@H](n2cc(-c3c(C#N)c(Sc4ccccc4)[nH]c(=N)c3C#N)c(O)nc2=O)CC1OC(C)=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H22N6O7S/c1-13(33)37-12-20-19(38-14(2)34)8-21(39-20)32-11-18(24(35)31-26(32)36)22-16(9-27)23(29)30-25(17(22)10-28)40-15-6-4-3-5-7-15/h3-7,11,19-21H,8,12H2,1-2H3,(H2,29,30)(H,31,35,36)/t19?,20-,21-/m1/s1

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InChIKey

HDTFSNIUZYUYBW-RWLBOTFQSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID70655849

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(Q82637801)

5-[2-Amino-3,5-dicyano-6-(phenylsulfanyl)pyridin-4-yl]-1-[(3xi)-3,5-di-O-acetyl-2-deoxy-beta-D-glycero-pentofuranosyl]pyrimidine-2,4(1H,3H)-dione

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