1-methyl-3-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-methyl-3-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-methyl-3-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-methyl-3-phenyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-methyl-3-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-methyl-3-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N(C1=S)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N(C1=S)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-21-16(24)15(13-20-9-12-22-10-7-19-8-11-22)17(25)23(18(21)26)14-5-3-2-4-6-14/h2-6,13,19-20H,7-12H2,1H3/p+1