3-methyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-methyl-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-methyl-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-methyl-2-[3-[4-(2-quinolyl)piperazino]propylthio]quinazolin-4-one Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H27N5OS/c1-28-24(31)20-8-3-5-10-22(20)27-25(28)32-18-6-13-29-14-16-30(17-15-29)23-12-11-19-7-2-4-9-21(19)26-23/h2-5,7-12H,6,13-18H2,1H3