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

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-purin-6-amine Openeye Name: N-allyl-2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 2-(4-methylsulfonyl-1-piperazinyl)-9-[(4-nitrophenyl)methyl]-N-prop-2-enyl-6-purinamine IUPAC Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-[(4-nitrophenyl)methyl]-N-prop-2-enylpurin-6-amine Traditional Name: allyl-[2-(4-mesylpiperazino)-9-(4-nitrobenzyl)purin-6-yl]amine Formula: C20H24N8O4S MolecularWeight: 472.52076

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N8O4S/c1-3-8-21-18-17-19(24-20(23-18)25-9-11-27(12-10-25)33(2,31)32)26(14-22-17)13-15-4-6-16(7-5-15)28(29)30/h3-7,14H,1,8-13H2,2H3,(H,21,23,24)