2-[2,3-bis(oxidanyl)propylsulfanyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 2-[2,3-bis(oxidanyl)propylsulfanyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-(2,3-dihydroxypropylsulfanyl)-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-(2,3-dihydroxypropylthio)-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-(2,3-dihydroxypropylsulfanyl)-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-(glycerylthio)-1-methyl-8-piperazino-purin-6-one Formula: C17H24N6O3S MolecularWeight: 392.47586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O3S/c1-3-4-7-23-13-14(19-16(23)22-8-5-18-6-9-22)20-17(21(2)15(13)26)27-11-12(25)10-24/h12,18,24-25H,5-11H2,1-2H3