1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[[4-[3-(dimethylamino)propylamino]-2-quinazolinyl]methyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazino]-2-(phenylthio)ethanone Formula: C26H34N6OS MolecularWeight: 478.65276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C26H34N6OS/c1-30(2)14-8-13-27-26-22-11-6-7-12-23(22)28-24(29-26)19-31-15-17-32(18-16-31)25(33)20-34-21-9-4-3-5-10-21/h3-7,9-12H,8,13-20H2,1-2H3,(H,27,28,29)