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

Systemtic Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)ethyl]methanesulfonamide CAS Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)ethyl]methanesulfonamide Traditional Name: N-[2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)ethyl]methanesulfonamide Formula: C17H25N7O4S MolecularWeight: 423.4899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N7O4S/c1-4-5-9-23-13-14(20-16(23)22-10-6-18-7-11-22)21(2)17(26)24(15(13)25)12-8-19-29(3,27)28/h18-19H,6-12H2,1-3H3