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

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-yl)-N-phenethyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)-N-phenethyl-purin-6-amine CAS Name: 2-(4-methylsulfonyl-1-piperazinyl)-N-phenethyl-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)-N-phenethylpurin-6-amine Traditional Name: [9-benzyl-2-(4-mesylpiperazino)purin-6-yl]-phenethyl-amine Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C25H29N7O2S/c1-35(33,34)32-16-14-30(15-17-32)25-28-23(26-13-12-20-8-4-2-5-9-20)22-24(29-25)31(19-27-22)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,26,28,29)