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

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]-N-phenethyl-purin-6-amine Openeye Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]-N-phenethyl-purin-6-amine CAS Name: 2-(4-methylsulfonyl-1-piperazinyl)-9-[(4-nitrophenyl)methyl]-N-phenethyl-6-purinamine IUPAC Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]-N-phenethylpurin-6-amine Traditional Name: [2-(4-mesylpiperazino)-9-(4-nitrobenzyl)purin-6-yl]-phenethyl-amine Formula: C25H28N8O4S MolecularWeight: 536.60602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N8O4S/c1-38(36,37)32-15-13-30(14-16-32)25-28-23(26-12-11-19-5-3-2-4-6-19)22-24(29-25)31(18-27-22)17-20-7-9-21(10-8-20)33(34)35/h2-10,18H,11-17H2,1H3,(H,26,28,29)