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

Systemtic Name: 7-but-2-ynyl-2-cyclopentylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-cyclopentylsulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-(cyclopentylthio)-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-cyclopentylsulfanyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-(cyclopentylthio)-1-methyl-8-piperazino-purin-6-one Formula: C19H26N6OS MolecularWeight: 386.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4CCCC4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4CCCC4

InChI

InChI=1S/C19H26N6OS/c1-3-4-11-25-15-16(21-18(25)24-12-9-20-10-13-24)22-19(23(2)17(15)26)27-14-7-5-6-8-14/h14,20H,5-13H2,1-2H3