2-[6,8-bis(bromanyl)-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[6,8-bis(bromanyl)-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-(3-allyl-6,8-dibromo-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(6,8-dibromo-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(6,8-dibromo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-allyl-6,8-dibromo-4-keto-quinazolin-2-yl)thio]acetic acid Formula: C13H10Br2N2O3S MolecularWeight: 434.1031

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC(=CC(=C2N=C1SCC(=O)O)Br)Br

Isomeric SMILES

C=CCN1C(=O)C2=CC(=CC(=C2N=C1SCC(=O)O)Br)Br

InChI

InChI=1S/C13H10Br2N2O3S/c1-2-3-17-12(20)8-4-7(14)5-9(15)11(8)16-13(17)21-6-10(18)19/h2,4-5H,1,3,6H2,(H,18,19)