2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H31N5O2S/c1-3-4-13-26-24-19-9-5-6-10-20(19)27-25(28-24)33-18-23(31)30-16-14-29(15-17-30)21-11-7-8-12-22(21)32-2/h5-12H,3-4,13-18H2,1-2H3,(H,26,27,28)