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

Systemtic Name: 9-[(4-nitrophenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]-N-prop-2-enyl-purin-6-amine Openeye Name: N-allyl-2-[4-(benzenesulfonyl)piperazin-1-yl]-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-6-purinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enylpurin-6-amine Traditional Name: allyl-[2-(4-besylpiperazino)-9-(4-nitrobenzyl)purin-6-yl]amine Formula: C25H26N8O4S MolecularWeight: 534.59014

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H26N8O4S/c1-2-12-26-23-22-24(31(18-27-22)17-19-8-10-20(11-9-19)33(34)35)29-25(28-23)30-13-15-32(16-14-30)38(36,37)21-6-4-3-5-7-21/h2-11,18H,1,12-17H2,(H,26,28,29)