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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-phenethyl-purin-6-amine Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-phenethyl-purin-6-amine CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-9-[(4-nitrophenyl)methyl]-N-phenethyl-6-purinamine IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-phenethylpurin-6-amine Traditional Name: [2-[4-(4-chlorophenyl)sulfonylpiperazino]-9-(4-nitrobenzyl)purin-6-yl]-phenethyl-amine Formula: C30H29ClN8O4S MolecularWeight: 633.12046

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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=C(C=C6)Cl

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=C(C=C6)Cl

InChI

InChI=1S/C30H29ClN8O4S/c31-24-8-12-26(13-9-24)44(42,43)38-18-16-36(17-19-38)30-34-28(32-15-14-22-4-2-1-3-5-22)27-29(35-30)37(21-33-27)20-23-6-10-25(11-7-23)39(40)41/h1-13,21H,14-20H2,(H,32,34,35)