5-[(2,5-dimethyl-1-pyridin-1-ium-4-yl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2,5-dimethyl-1-pyridin-1-ium-4-yl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2,5-dimethyl-1-pyridin-1-ium-4-yl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(4-pyridin-1-iumyl)-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,5-dimethyl-1-pyridin-1-ium-4-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2,5-dimethyl-1-pyridin-1-ium-4-yl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H15N4O2S+ MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=[NH+]C=C2)C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=[NH+]C=C2)C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H14N4O2S/c1-9-7-11(8-13-14(21)18-16(23)19-15(13)22)10(2)20(9)12-3-5-17-6-4-12/h3-8H,1-2H3,(H2,18,19,21,22,23)/p+1