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

Systemtic Name: 1-(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2-methoxyphenyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S

InChI

InChI=1S/C18H23N5O3S/c1-26-15-5-3-2-4-14(15)23-17(25)13(16(24)21-18(23)27)12-20-8-11-22-9-6-19-7-10-22/h2-5,12,19-20H,6-11H2,1H3,(H,21,24,27)/p+1