6,7-dimethoxy-2-[4-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]piperazin-1-yl]quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-[4-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]piperazin-1-yl]quinazolin-4-amine Openeye Name: 6,7-dimethoxy-2-[4-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]piperazin-1-yl]quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]-1-piperazinyl]-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-[4-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]piperazin-1-yl]quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-[4-(5-oxido-4-phenyl-furazan-5-ium-3-yl)sulfonylpiperazino]quinazolin-4-yl]amine Formula: C22H23N7O6S MolecularWeight: 513.52632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=NO[N+](=C4C5=CC=CC=C5)[O-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=NO[N+](=C4C5=CC=CC=C5)[O-])N)OC

InChI

InChI=1S/C22H23N7O6S/c1-33-17-12-15-16(13-18(17)34-2)24-22(25-20(15)23)27-8-10-28(11-9-27)36(31,32)21-19(29(30)35-26-21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,23,24,25)