7-but-2-ynyl-1-methyl-2-(3-methylbutan-2-ylsulfanyl)-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-but-2-ynyl-1-methyl-2-(3-methylbutan-2-ylsulfanyl)-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-2-(1,2-dimethylpropylsulfanyl)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-1-methyl-2-(3-methylbutan-2-ylthio)-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-1-methyl-2-(3-methylbutan-2-ylsulfanyl)-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-2-(1,2-dimethylpropylthio)-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C21H29F3N6O3S MolecularWeight: 502.55357

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC(C)C(C)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC(C)C(C)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H28N6OS.C2HF3O2/c1-6-7-10-25-15-16(21-18(25)24-11-8-20-9-12-24)22-19(23(5)17(15)26)27-14(4)13(2)3;3-2(4,5)1(6)7/h13-14,20H,8-12H2,1-5H3;(H,6,7)