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

Systemtic Name: N-phenethyl-9-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]purin-6-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-benzyl-N-phenethyl-purin-6-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-phenethyl-9-(phenylmethyl)-6-purinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-benzyl-N-phenethylpurin-6-amine Traditional Name: [9-benzyl-2-(4-besylpiperazino)purin-6-yl]-phenethyl-amine Formula: C30H31N7O2S MolecularWeight: 553.67784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N7O2S/c38-40(39,26-14-8-3-9-15-26)37-20-18-35(19-21-37)30-33-28(31-17-16-24-10-4-1-5-11-24)27-29(34-30)36(23-32-27)22-25-12-6-2-7-13-25/h1-15,23H,16-22H2,(H,31,33,34)