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

Systemtic Name: 5-[(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H18N4O2S MolecularWeight: 366.43682

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S/c1-4-9-22-18(25)15(17(24)21-19(22)26)11-14-10-12(2)23(13(14)3)16-7-5-6-8-20-16/h4-8,10-11H,1,9H2,2-3H3,(H,21,24,26)