7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(1,3,4-thiadiazol-2-ylthio)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(1,3,4-thiadiazol-2-ylthio)purin-6-one Formula: C16H18N8OS2 MolecularWeight: 402.49712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N8OS2/c1-3-4-7-24-11-12(19-14(24)23-8-5-17-6-9-23)20-15(22(2)13(11)25)27-16-21-18-10-26-16/h10,17H,5-9H2,1-2H3