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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one Formula: C16H19N9OS2 MolecularWeight: 417.51176

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C16H19N9OS2/c1-3-4-7-25-10-11(19-14(25)24-8-5-18-6-9-24)20-15(23(2)12(10)26)28-16-22-21-13(17)27-16/h18H,5-9H2,1-2H3,(H2,17,21)