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

Systemtic Name: 3-[5-[(2-morpholin-4-ylphenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(2-morpholinophenyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[2-(4-morpholinyl)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(2-morpholin-4-ylphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[4,6-diketo-5-(2-morpholinobenzylidene)-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H19N3O5S/c26-19-17(13-14-4-1-2-7-18(14)24-8-10-30-11-9-24)20(27)25(22(31)23-19)16-6-3-5-15(12-16)21(28)29/h1-7,12-13H,8-11H2,(H,28,29)(H,23,26,31)