5-[2-(4-methylpiperazin-1-yl)ethoxy]-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 5-[2-(4-methylpiperazin-1-yl)ethoxy]-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-benzoyl-2-benzylsulfanyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-one CAS Name: 3-benzoyl-5-[2-(4-methyl-1-piperazinyl)ethoxy]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 3-benzoyl-2-benzylsulfanyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-one Traditional Name: 3-benzoyl-2-(benzylthio)-5-[2-(4-methylpiperazino)ethoxy]quinazolin-4-one Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC2=CC=CC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CCOC2=CC=CC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3S/c1-31-15-17-32(18-16-31)19-20-36-25-14-8-13-24-26(25)28(35)33(27(34)23-11-6-3-7-12-23)29(30-24)37-21-22-9-4-2-5-10-22/h2-14H,15-21H2,1H3