N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: 9-benzyl-N-(p-tolylmethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: 9-benzyl-N-[(4-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: [9-benzyl-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]-(4-methylbenzyl)amine Formula: C28H29N7O2S2 MolecularWeight: 559.70556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C28H29N7O2S2/c1-21-9-11-22(12-10-21)18-29-26-25-27(34(20-30-25)19-23-6-3-2-4-7-23)32-28(31-26)33-13-15-35(16-14-33)39(36,37)24-8-5-17-38-24/h2-12,17,20H,13-16,18-19H2,1H3,(H,29,31,32)