6,7-dimethoxy-2-(4-phenanthren-9-ylsulfonylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-(4-phenanthren-9-ylsulfonylpiperazin-1-yl)quinazolin-4-amine Openeye Name: 6,7-dimethoxy-2-[4-(9-phenanthrylsulfonyl)piperazin-1-yl]quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-(9-phenanthrenylsulfonyl)-1-piperazinyl]-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-(4-phenanthren-9-ylsulfonylpiperazin-1-yl)quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-[4-(9-phenanthrylsulfonyl)piperazino]quinazolin-4-yl]amine Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C6=CC=CC=C64)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C6=CC=CC=C64)N)OC

InChI

InChI=1S/C28H27N5O4S/c1-36-24-16-22-23(17-25(24)37-2)30-28(31-27(22)29)32-11-13-33(14-12-32)38(34,35)26-15-18-7-3-4-8-19(18)20-9-5-6-10-21(20)26/h3-10,15-17H,11-14H2,1-2H3,(H2,29,30,31)