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

Systemtic Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-bis(2-methoxyphenyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H30N5O4S+ MolecularWeight: 496.6018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)N(C2=S)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)N(C2=S)C4=CC=CC=C4OC

InChI

InChI=1S/C25H29N5O4S/c1-33-21-9-5-3-7-19(21)29-23(31)18(17-27-13-16-28-14-11-26-12-15-28)24(32)30(25(29)35)20-8-4-6-10-22(20)34-2/h3-10,17,26-27H,11-16H2,1-2H3/p+1