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

Systemtic Name: N-(2-ethylhexyl)-2-(4-methylsulfonylpiperazin-1-yl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-N-(2-ethylhexyl)-2-(4-methylsulfonylpiperazin-1-yl)purin-6-amine CAS Name: N-(2-ethylhexyl)-2-(4-methylsulfonyl-1-piperazinyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-N-(2-ethylhexyl)-2-(4-methylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: [9-benzyl-2-(4-mesylpiperazino)purin-6-yl]-(2-ethylhexyl)amine Formula: C25H37N7O2S MolecularWeight: 499.67198

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H37N7O2S/c1-4-6-10-20(5-2)17-26-23-22-24(31(19-27-22)18-21-11-8-7-9-12-21)29-25(28-23)30-13-15-32(16-14-30)35(3,33)34/h7-9,11-12,19-20H,4-6,10,13-18H2,1-3H3,(H,26,28,29)