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

Systemtic Name: N-[(4-methylphenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: 9-[(4-nitrophenyl)methyl]-N-(p-tolylmethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: N-[(4-methylphenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: N-[(4-methylphenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: (4-methylbenzyl)-[9-(4-nitrobenzyl)-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]amine Formula: C28H28N8O4S2 MolecularWeight: 604.70312

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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)C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCN(CC5)S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C28H28N8O4S2/c1-20-4-6-21(7-5-20)17-29-26-25-27(34(19-30-25)18-22-8-10-23(11-9-22)36(37)38)32-28(31-26)33-12-14-35(15-13-33)42(39,40)24-3-2-16-41-24/h2-11,16,19H,12-15,17-18H2,1H3,(H,29,31,32)