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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-thiophen-2-ylsulfanyl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(2-thienylsulfanyl)purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(thiophen-2-ylthio)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-thiophen-2-ylsulfanylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(2-thienylthio)purin-6-one Formula: C18H20N6OS2 MolecularWeight: 400.521

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=CC=CS4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=CC=CS4

InChI

InChI=1S/C18H20N6OS2/c1-3-4-9-24-14-15(20-17(24)23-10-7-19-8-11-23)21-18(22(2)16(14)25)27-13-6-5-12-26-13/h5-6,12,19H,7-11H2,1-2H3