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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2,5-dimethoxyphenyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S

InChI

InChI=1S/C19H25N5O4S/c1-27-13-3-4-16(28-2)15(11-13)24-18(26)14(17(25)22-19(24)29)12-21-7-10-23-8-5-20-6-9-23/h3-4,11-12,20-21H,5-10H2,1-2H3,(H,22,25,29)/p+1