N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]purin-6-amine

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]purin-6-amine Openeye Name: N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonyl-1-piperazinyl)-9-[(4-nitrophenyl)methyl]-6-purinamine IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]purin-6-amine Traditional Name: (2-chlorobenzyl)-[2-(4-mesylpiperazino)-9-(4-nitrobenzyl)purin-6-yl]amine Formula: C24H25ClN8O4S MolecularWeight: 557.0245

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H25ClN8O4S/c1-38(36,37)32-12-10-30(11-13-32)24-28-22(26-14-18-4-2-3-5-20(18)25)21-23(29-24)31(16-27-21)15-17-6-8-19(9-7-17)33(34)35/h2-9,16H,10-15H2,1H3,(H,26,28,29)