7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purine-8-thione

Systemtic Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purine-8-thione Openeye Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purine-8-thione CAS Name: 7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-8-purinethione IUPAC Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-ylpurine-8-thione Traditional Name: 7-but-2-ynyl-9-methyl-6-piperazino-purine-8-thione Formula: C14H18N6S MolecularWeight: 302.39792

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=S)C

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=S)C

InChI

InChI=1S/C14H18N6S/c1-3-4-7-20-11-12(18(2)14(20)21)16-10-17-13(11)19-8-5-15-6-9-19/h10,15H,5-9H2,1-2H3