N-(2-ethylhexyl)-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine

Systemtic Name: N-(2-ethylhexyl)-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: 9-benzyl-N-(2-ethylhexyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: N-(2-ethylhexyl)-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: 9-benzyl-N-(2-ethylhexyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: [9-benzyl-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]-(2-ethylhexyl)amine Formula: C28H37N7O2S2 MolecularWeight: 567.76908

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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=CS5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C28H37N7O2S2/c1-3-5-10-22(4-2)19-29-26-25-27(34(21-30-25)20-23-11-7-6-8-12-23)32-28(31-26)33-14-16-35(17-15-33)39(36,37)24-13-9-18-38-24/h6-9,11-13,18,21-22H,3-5,10,14-17,19-20H2,1-2H3,(H,29,31,32)