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

Systemtic Name: 5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-isopropylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-p-cumenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-14(2)15-3-5-16(6-4-15)25-19(27)17(18(26)23-20(25)28)13-22-9-12-24-10-7-21-8-11-24/h3-6,13-14,21-22H,7-12H2,1-2H3,(H,23,26,28)/p+1