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(Q72434797)
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English
2-[[(3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
418.144154024
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[[(3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₇ClN₄O₄S
0 references
canonical SMILES
CCCSc1nc(Cl)c(N)c(=NC2CC(OCCO)C3OC(C)(C)OC23)[nH]1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCSc1nc(Cl)c(N)c(=N[C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@H]32)[nH]1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H27ClN4O4S/c1-4-7-27-16-21-14(18)11(19)15(22-16)20-9-8-10(24-6-5-23)13-12(9)25-17(2,3)26-13/h9-10,12-13,23H,4-8,19H2,1-3H3,(H,20,21,22)/t9-,10+,12+,13-/m1/s1
0 references
InChIKey
LODREYVWDWCAOB-RSLMWUCJSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
376608-74-1
0 references
SureChEMBL ID
SCHEMBL2131051
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LODREYVWDWCAOB-RSLMWUCJSA-N
UNII
6QTG8T8EH9
1 reference
matched by identifier from
InChIKey
InChIKey
LODREYVWDWCAOB-RSLMWUCJSA-N
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