7-but-2-ynyl-9-methyl-2-methylsulfanyl-6-piperazin-1-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-9-methyl-2-methylsulfanyl-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-9-methyl-2-methylsulfanyl-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-methyl-2-(methylthio)-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-9-methyl-2-methylsulfanyl-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-9-methyl-2-(methylthio)-6-piperazino-purin-8-one Formula: C15H20N6OS MolecularWeight: 332.4239

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)SC)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)SC)N(C1=O)C

InChI

InChI=1S/C15H20N6OS/c1-4-5-8-21-11-12(19(2)15(21)22)17-14(23-3)18-13(11)20-9-6-16-7-10-20/h16H,6-10H2,1-3H3