1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]ethanone Formula: C23H23ClN6O3S MolecularWeight: 498.98512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN6O3S/c24-15-5-8-19(20(13-15)30(32)33)28-9-11-29(12-10-28)21(31)14-34-23-26-18-4-2-1-3-17(18)22(27-23)25-16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,25,26,27)