2-tert-butylsulfanyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 2-tert-butylsulfanyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 2-tert-butylsulfanyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 2-(tert-butylthio)-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 2-tert-butylsulfanyl-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 2-(tert-butylthio)-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one Formula: C18H26N6OS MolecularWeight: 374.50364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6OS/c1-6-7-10-24-13-14(20-16(24)23-11-8-19-9-12-23)21-17(22(5)15(13)25)26-18(2,3)4/h19H,8-12H2,1-5H3