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

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenethyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenethyl-purin-6-amine CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N-phenethyl-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenethylpurin-6-amine Traditional Name: [9-benzyl-2-[4-(4-fluorophenyl)sulfonylpiperazino]purin-6-yl]-phenethyl-amine Formula: C30H30FN7O2S MolecularWeight: 571.668303

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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=C(C=C6)F

Isomeric SMILES

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

InChI

InChI=1S/C30H30FN7O2S/c31-25-11-13-26(14-12-25)41(39,40)38-19-17-36(18-20-38)30-34-28(32-16-15-23-7-3-1-4-8-23)27-29(35-30)37(22-33-27)21-24-9-5-2-6-10-24/h1-14,22H,15-21H2,(H,32,34,35)