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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C28H28N8O4S2/c37-36(38)23-10-8-22(9-11-23)19-34-20-30-25-26(29-13-12-21-5-2-1-3-6-21)31-28(32-27(25)34)33-14-16-35(17-15-33)42(39,40)24-7-4-18-41-24/h1-11,18,20H,12-17,19H2,(H,29,31,32)