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

Systemtic Name: 5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(azepan-1-yl)-2-furyl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(1-azepanyl)-2-furanyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(azepan-1-yl)-2-furyl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(O2)N3CCCCCC3)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(O2)N3CCCCCC3)C(=O)N(C1=S)C

InChI

InChI=1S/C17H21N3O3S/c1-18-15(21)13(16(22)19(2)17(18)24)11-12-7-8-14(23-12)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3