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

Systemtic Name: 9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: N-allyl-9-[(4-nitrophenyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: 9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: 9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: allyl-[9-(4-nitrobenzyl)-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]amine Formula: C23H24N8O4S2 MolecularWeight: 540.61786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H24N8O4S2/c1-2-9-24-21-20-22(29(16-25-20)15-17-5-7-18(8-6-17)31(32)33)27-23(26-21)28-10-12-30(13-11-28)37(34,35)19-4-3-14-36-19/h2-8,14,16H,1,9-13,15H2,(H,24,26,27)