(Q82057318)

English

Ethanesulfonic acid--4-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-2-methylpropanamido}benzene-1-sulfonyl fluoride (1/1)

chemical compound

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Statements

type of chemical entity

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chemical compound

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570.1730529319999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₁FN₆O₆S₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC(Cc1ccc(N2C(=N)NC(=N)NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1.CCS(=O)(=O)O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H25FN6O3S.C2H6O3S/c1-13(18(29)25-15-6-10-17(11-7-15)32(22,30)31)12-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3;1-2-6(3,4)5/h4-11,13H,12H2,1-3H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)

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HOWJVMGXEFRANV-UHFFFAOYSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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