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

Systemtic Name: (5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-5-[[5-(azepan-1-yl)-2-furyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-5-[[5-(1-azepanyl)-2-furanyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-5-[[5-(azepan-1-yl)-2-furyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(O2)N3CCCCCC3)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C\C2=CC=C(O2)N3CCCCCC3)/C(=O)NC1=S

InChI

InChI=1S/C16H19N3O3S/c1-18-15(21)12(14(20)17-16(18)23)10-11-6-7-13(22-11)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3,(H,17,20,23)/b12-10-