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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-purin-6-amine Openeye Name: N-allyl-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-6-purinamine IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enylpurin-6-amine Traditional Name: allyl-[2-[4-(4-chlorophenyl)sulfonylpiperazino]-9-(4-nitrobenzyl)purin-6-yl]amine Formula: C25H25ClN8O4S MolecularWeight: 569.0352

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN8O4S/c1-2-11-27-23-22-24(32(17-28-22)16-18-3-7-20(8-4-18)34(35)36)30-25(29-23)31-12-14-33(15-13-31)39(37,38)21-9-5-19(26)6-10-21/h2-10,17H,1,11-16H2,(H,27,29,30)