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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorobenzyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23FN5O2S+ MolecularWeight: 392.470923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN5O2S/c19-14-3-1-13(2-4-14)12-24-17(26)15(16(25)22-18(24)27)11-21-7-10-23-8-5-20-6-9-23/h1-4,11,20-21H,5-10,12H2,(H,22,25,27)/p+1