3-ethyl-6-methoxy-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylsulfanyl]quinazolin-4-one

Systemtic Name: 3-ethyl-6-methoxy-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylsulfanyl]quinazolin-4-one Openeye Name: 3-ethyl-6-methoxy-2-[3-[4-(2-quinolyl)piperazin-1-yl]butylsulfanyl]quinazolin-4-one CAS Name: 3-ethyl-6-methoxy-2-[3-[4-(2-quinolinyl)-1-piperazinyl]butylthio]-4-quinazolinone IUPAC Name: 3-ethyl-6-methoxy-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylsulfanyl]quinazolin-4-one Traditional Name: 3-ethyl-6-methoxy-2-[3-[4-(2-quinolyl)piperazino]butylthio]quinazolin-4-one Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)OC)N=C1SCCC(C)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)OC)N=C1SCCC(C)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H33N5O2S/c1-4-33-27(34)23-19-22(35-3)10-11-25(23)30-28(33)36-18-13-20(2)31-14-16-32(17-15-31)26-12-9-21-7-5-6-8-24(21)29-26/h5-12,19-20H,4,13-18H2,1-3H3