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

Systemtic Name: 3-[5-[(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H18N4O4S/c1-13-10-16(14(2)26(13)19-8-3-4-9-24-19)12-18-20(28)25-23(32)27(21(18)29)17-7-5-6-15(11-17)22(30)31/h3-12H,1-2H3,(H,30,31)(H,25,28,32)