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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-ethylhexyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-ethylhexyl)purin-6-amine CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-ethylhexyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-ethylhexyl)purin-6-amine Traditional Name: [9-benzyl-2-[4-(4-chlorophenyl)sulfonylpiperazino]purin-6-yl]-(2-ethylhexyl)amine Formula: C30H38ClN7O2S MolecularWeight: 596.18642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H38ClN7O2S/c1-3-5-9-23(4-2)20-32-28-27-29(37(22-33-27)21-24-10-7-6-8-11-24)35-30(34-28)36-16-18-38(19-17-36)41(39,40)26-14-12-25(31)13-15-26/h6-8,10-15,22-23H,3-5,9,16-21H2,1-2H3,(H,32,34,35)