methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[3-[4-(4-fluorophenyl)piperazino]propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3S/c1-31-22(30)16-3-8-19-20(15-16)25-23(32)28(21(19)29)10-2-9-26-11-13-27(14-12-26)18-6-4-17(24)5-7-18/h3-8,15H,2,9-14H2,1H3,(H,25,32)