(Q82637790)

English

5-{2-Amino-3,5-dicyano-6-[(4-fluorophenyl)sulfanyl]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 C₂₆H₂₁FN₆O₇S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

580.1176462320001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₁FN₆O₇S

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OCC1OC(n2cc(-c3c(C#N)c(Sc4ccc(F)cc4)[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(Sc4ccc(F)cc4)[nH]c(=N)c3C#N)c(O)nc2=O)CC1OC(C)=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H21FN6O7S/c1-12(34)38-11-20-19(39-13(2)35)7-21(40-20)33-10-18(24(36)32-26(33)37)22-16(8-28)23(30)31-25(17(22)9-29)41-15-5-3-14(27)4-6-15/h3-6,10,19-21H,7,11H2,1-2H3,(H2,30,31)(H,32,36,37)/t19?,20-,21-/m1/s1

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InChIKey

ACJZECJTLVWBPQ-RWLBOTFQSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID70655844

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(Q82637790)

5-{2-Amino-3,5-dicyano-6-[(4-fluorophenyl)sulfanyl]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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