3-methyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-one

Systemtic Name: 3-methyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-one Openeye Name: 3-methyl-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-one CAS Name: 3-methyl-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-5,6,7,8-tetrahydroquinazolin-4-one IUPAC Name: 3-methyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-one Traditional Name: 3-methyl-2-[3-[4-(2-quinolyl)piperazino]propylthio]-5,6,7,8-tetrahydroquinazolin-4-one Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(CCCC2)N=C1SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C(=O)C2=C(CCCC2)N=C1SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H31N5OS/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/h2,4,7,9,11-12H,3,5-6,8,10,13-18H2,1H3