(Q82911142)

English

3-[({6-Bromo-3-[4-(ethoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid

chemical compound

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Statements

type of chemical entity

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chemical compound

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490.01980480799995 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₁H₁₉BrN₂O₅S

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canonical SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCCC(=O)O

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Identifiers

InChI=1S/C21H19BrN2O5S/c1-2-29-21(28)13-3-6-15(7-4-13)24-18(12-30-10-9-19(25)26)23-17-8-5-14(22)11-16(17)20(24)27/h3-8,11H,2,9-10,12H2,1H3,(H,25,26)

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BXRVEZKJOYRGIC-UHFFFAOYSA-N

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CAS Registry Number

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matched by identifier from

BXRVEZKJOYRGIC-UHFFFAOYSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

BXRVEZKJOYRGIC-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID101363769

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