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

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

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O2S/c1-19-8-10-20(11-9-19)16-26-23-22-24(31(18-27-22)17-21-6-4-3-5-7-21)29-25(28-23)30-12-14-32(15-13-30)35(2,33)34/h3-11,18H,12-17H2,1-2H3,(H,26,28,29)