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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]purin-6-amine Openeye Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]-N-(p-tolylmethyl)purin-6-amine CAS Name: N-[(4-methylphenyl)methyl]-2-(4-methylsulfonyl-1-piperazinyl)-9-[(4-nitrophenyl)methyl]-6-purinamine IUPAC Name: N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]purin-6-amine Traditional Name: [2-(4-mesylpiperazino)-9-(4-nitrobenzyl)purin-6-yl]-(4-methylbenzyl)amine Formula: C25H28N8O4S MolecularWeight: 536.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C25H28N8O4S/c1-18-3-5-19(6-4-18)15-26-23-22-24(29-25(28-23)30-11-13-32(14-12-30)38(2,36)37)31(17-27-22)16-20-7-9-21(10-8-20)33(34)35/h3-10,17H,11-16H2,1-2H3,(H,26,28,29)