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

Systemtic Name: 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(azepan-1-yl)ethylamino]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(1-azepanyl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2-(azepan-1-yl)ethylamino]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCN2CCCCCC2)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)C(=CNCCN2CCCCCC2)C(=O)NC1=S

InChI

InChI=1S/C14H22N4O2S/c1-17-13(20)11(12(19)16-14(17)21)10-15-6-9-18-7-4-2-3-5-8-18/h10,15H,2-9H2,1H3,(H,16,19,21)