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

Systemtic Name: N-(2-ethylhexyl)-9-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]purin-6-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-benzyl-N-(2-ethylhexyl)purin-6-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-ethylhexyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-benzyl-N-(2-ethylhexyl)purin-6-amine Traditional Name: [9-benzyl-2-(4-besylpiperazino)purin-6-yl]-(2-ethylhexyl)amine Formula: C30H39N7O2S MolecularWeight: 561.74136

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H39N7O2S/c1-3-5-12-24(4-2)21-31-28-27-29(36(23-32-27)22-25-13-8-6-9-14-25)34-30(33-28)35-17-19-37(20-18-35)40(38,39)26-15-10-7-11-16-26/h6-11,13-16,23-24H,3-5,12,17-22H2,1-2H3,(H,31,33,34)