6-propyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-propyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-propyl-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[3-[4-(2-quinolyl)piperazino]propylthio]-1H-pyrimidin-4-one Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCN2CCN(CC2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCN2CCN(CC2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H29N5OS/c1-2-6-19-17-22(29)26-23(24-19)30-16-5-11-27-12-14-28(15-13-27)21-10-9-18-7-3-4-8-20(18)25-21/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,24,26,29)