7-but-2-ynyl-1-methyl-2-(2-methylpropylsulfanyl)-8-piperazin-1-yl-purin-6-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6OS/c1-5-6-9-24-14-15(20-17(24)23-10-7-19-8-11-23)21-18(22(4)16(14)25)26-12-13(2)3/h13,19H,7-12H2,1-4H3