3-[2-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethylamino]-2-oxidanylidene-ethyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethylamino]-2-oxidanylidene-ethyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethylamino]-2-oxo-ethyl]-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-[2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]ethylamino]-2-oxoethyl]-7-methoxycarbonyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethylamino]-2-oxoethyl]-7-methoxycarbonyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[2-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethylamino]-2-keto-ethyl]-2-thioxo-quinazolin-4-olate Formula: C24H26FN5O4S MolecularWeight: 499.557743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H26FN5O4S/c1-34-23(33)16-6-7-17-19(14-16)27-24(35)30(22(17)32)15-21(31)26-8-9-28-10-12-29(13-11-28)20-5-3-2-4-18(20)25/h2-7,14,32H,8-13,15H2,1H3,(H,26,31)