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

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5OS/c1-2-3-13-25-23-20-11-7-8-12-21(20)26-24(27-23)31-18-22(30)29-16-14-28(15-17-29)19-9-5-4-6-10-19/h4-12H,2-3,13-18H2,1H3,(H,25,26,27)