N-ethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-quinazolin-4-amine

Systemtic Name: N-ethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-quinazolin-4-amine Openeye Name: N-ethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-quinazolin-4-amine CAS Name: N-ethyl-2-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-4-quinazolinamine IUPAC Name: N-ethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanylquinazolin-4-amine Traditional Name: ethyl-[2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]quinazolin-4-yl]amine Formula: C21H25N6O4S2+ MolecularWeight: 489.591

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S2/c1-3-22-20-16-6-4-5-7-17(16)23-21(24-20)32-19-9-8-15(14-18(19)27(28)29)33(30,31)26-12-10-25(2)11-13-26/h4-9,14H,3,10-13H2,1-2H3,(H,22,23,24)/p+1