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

Systemtic Name: 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 3-[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propyl]-7-methoxycarbonyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-7-methoxycarbonyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-quinazolin-4-olate Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3S/c1-31-22(30)16-7-8-17-19(15-16)25-23(32)28(21(17)29)10-4-9-26-11-13-27(14-12-26)20-6-3-2-5-18(20)24/h2-3,5-8,15,29H,4,9-14H2,1H3