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(Q76808646)
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English
methyl (4R)-4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
494.04235182
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₀BrFN₄O₃S
0 references
canonical SMILES
COC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1=C(NC(=N[C@H]1C2=C(C=C(C=C2)F)Br)C3=NC=CS3)CN4CCOCC4
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Identifiers
InChI
InChI=1S/C20H20BrFN4O3S/c1-28-20(27)16-15(11-26-5-7-29-8-6-26)24-18(19-23-4-9-30-19)25-17(16)13-3-2-12(22)10-14(13)21/h2-4,9-10,17H,5-8,11H2,1H3,(H,24,25)/t17-/m0/s1
0 references
InChIKey
ZIGBVTIJGLEPKF-KRWDZBQOSA-N
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PubChem CID
92136226
1 reference
matched by identifier from
InChIKey
InChIKey
ZIGBVTIJGLEPKF-KRWDZBQOSA-N
UniChem compound ID
100661186
1 reference
stated in
UniChem
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