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

Systemtic Name: 9-[(4-nitrophenyl)methyl]-N-phenethyl-2-[4-(phenylsulfonyl)piperazin-1-yl]purin-6-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-phenethyl-purin-6-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-9-[(4-nitrophenyl)methyl]-N-phenethyl-6-purinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-phenethylpurin-6-amine Traditional Name: [2-(4-besylpiperazino)-9-(4-nitrobenzyl)purin-6-yl]-phenethyl-amine Formula: C30H30N8O4S MolecularWeight: 598.6754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H30N8O4S/c39-38(40)25-13-11-24(12-14-25)21-36-22-32-27-28(31-16-15-23-7-3-1-4-8-23)33-30(34-29(27)36)35-17-19-37(20-18-35)43(41,42)26-9-5-2-6-10-26/h1-14,22H,15-21H2,(H,31,33,34)