5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(2-furylmethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-(2-furanylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(2-furfuryl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C22H25N3O3S/c1-14-11-16(15(2)25(14)17-7-4-3-5-8-17)12-19-20(26)23-22(29)24(21(19)27)13-18-9-6-10-28-18/h6,9-12,17H,3-5,7-8,13H2,1-2H3,(H,23,26,29)