(Q82599197)

English

(4S,6R,6aS)-6-(6-Amino-2-chloro-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxole-4-carboxamide (non-preferred name)

group of stereoisomers with the chemical formula C₁₅H₁₉ClN₆O₄

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Statements

group of stereoisomers

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chemical compound

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382.11563076799996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₉ClN₆O₄

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based on heuristic

inferred from SMILES

canonical SMILES

CCN=C(O)C1OC(n2cnc3c(N)nc(Cl)nc32)C2OC(C)(C)OC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H]2OC(C)(C)OC12

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C15H19ClN6O4/c1-4-18-12(23)8-7-9(26-15(2,3)25-7)13(24-8)22-5-19-6-10(17)20-14(16)21-11(6)22/h5,7-9,13H,4H2,1-3H3,(H,18,23)(H2,17,20,21)/t7?,8-,9-,13+/m0/s1

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CHPHKXXDQSHQKC-RKSWXSAXSA-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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