N-(2,4-dimethoxyphenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]quinazolin-4-amine

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]quinazolin-4-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)quinazolin-4-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2,4-dimethoxyphenyl)-4-quinazolinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)quinazolin-4-amine Traditional Name: [2-(4-besylpiperazino)quinazolin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H27N5O4S/c1-34-19-12-13-23(24(18-19)35-2)27-25-21-10-6-7-11-22(21)28-26(29-25)30-14-16-31(17-15-30)36(32,33)20-8-4-3-5-9-20/h3-13,18H,14-17H2,1-2H3,(H,27,28,29)