N-[2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)sulfanylethyl]ethanamide

Systemtic Name: N-[2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)sulfanylethyl]ethanamide Openeye Name: N-[2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)sulfanylethyl]acetamide CAS Name: N-[2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]thio]ethyl]acetamide IUPAC Name: N-[2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)sulfanylethyl]acetamide Traditional Name: N-[2-[(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)thio]ethyl]acetamide Formula: C18H25N7O2S MolecularWeight: 403.5018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O2S/c1-4-5-9-25-14-15(21-17(25)24-10-6-19-7-11-24)22-18(23(3)16(14)27)28-12-8-20-13(2)26/h19H,6-12H2,1-3H3,(H,20,26)