(Q82988810)

English

2-{1-[(2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-hydroxy-3-iminopropyl)amino]-3-hydroxy-3-iminopropyl}-6-imino-5-methyl-1,6-dihydropyrimidine-4-carboxylic acid

group of stereoisomers with the chemical formula C₁₇H₂₇N₇O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

425.20228158400005 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₇N₇O₆

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1c(C(=O)O)nc(C(CC(=N)O)NCC(N=C(O)OC(C)(C)C)C(=N)O)[nH]c1=N

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1c(C(=O)O)nc([C@H](CC(N)=O)NCC(N=C(O)OC(C)(C)C)C(N)=O)[nH]c1=N

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C17H27N7O6/c1-7-11(15(27)28)23-14(24-12(7)19)8(5-10(18)25)21-6-9(13(20)26)22-16(29)30-17(2,3)4/h8-9,21H,5-6H2,1-4H3,(H2,18,25)(H2,20,26)(H,22,29)(H,27,28)(H2,19,23,24)/t8-,9?/m0/s1

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InChIKey

XVCYESGSBIEXAS-IENPIDJESA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501423911

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(Q82988810)

2-{1-[(2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-hydroxy-3-iminopropyl)amino]-3-hydroxy-3-iminopropyl}-6-imino-5-methyl-1,6-dihydropyrimidine-4-carboxylic acid

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Identifiers

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