N-[2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)ethyl]benzenesulfonamide CAS Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)ethyl]benzenesulfonamide Formula: C22H27N7O4S MolecularWeight: 485.55928

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCNS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCNS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H27N7O4S/c1-3-4-13-28-18-19(25-21(28)27-14-10-23-11-15-27)26(2)22(31)29(20(18)30)16-12-24-34(32,33)17-8-6-5-7-9-17/h5-9,23-24H,10-16H2,1-2H3