2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O3S/c30-21(28-13-11-27(12-14-28)17-7-9-18(10-8-17)29(31)32)15-33-23-25-20-4-2-1-3-19(20)22(26-23)24-16-5-6-16/h1-4,7-10,16H,5-6,11-15H2,(H,24,25,26)