7-but-2-ynyl-1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-8-piperazino-purin-6-one Formula: C17H20N8OS2 MolecularWeight: 416.5237

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NN=C(S4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NN=C(S4)C

InChI

InChI=1S/C17H20N8OS2/c1-4-5-8-25-12-13(19-15(25)24-9-6-18-7-10-24)20-16(23(3)14(12)26)28-17-22-21-11(2)27-17/h18H,6-10H2,1-3H3