3-[5-[(5-bromanylfuran-2-yl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[(5-bromanylfuran-2-yl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(5-bromo-2-furyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[(5-bromo-2-furanyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(5-bromofuran-2-yl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[(5-bromo-2-furyl)methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C16H9BrN2O5S MolecularWeight: 421.22206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)Br)C(=O)NC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)Br)C(=O)NC2=S)C(=O)O

InChI

InChI=1S/C16H9BrN2O5S/c17-12-5-4-10(24-12)7-11-13(20)18-16(25)19(14(11)21)9-3-1-2-8(6-9)15(22)23/h1-7H,(H,22,23)(H,18,20,25)