2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-purin-6-amine

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-purin-6-amine Openeye Name: N-allyl-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-6-purinamine IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-9-[(4-nitrophenyl)methyl]-N-prop-2-enylpurin-6-amine Traditional Name: allyl-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-9-(4-nitrobenzyl)purin-6-yl]amine Formula: C23H23ClN8O4S2 MolecularWeight: 575.06292

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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(S5)Cl

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C23H23ClN8O4S2/c1-2-9-25-21-20-22(30(15-26-20)14-16-3-5-17(6-4-16)32(33)34)28-23(27-21)29-10-12-31(13-11-29)38(35,36)19-8-7-18(24)37-19/h2-8,15H,1,9-14H2,(H,25,27,28)