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

Systemtic Name: 7-but-2-ynyl-2-(2-hydroxyethylsulfanyl)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-2-(2-hydroxyethylsulfanyl)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-2-(2-hydroxyethylthio)-1-methyl-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-2-(2-hydroxyethylsulfanyl)-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-2-(2-hydroxyethylthio)-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C18H23F3N6O4S MolecularWeight: 476.47323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2S.C2HF3O2/c1-3-4-7-22-12-13(18-15(22)21-8-5-17-6-9-21)19-16(25-11-10-23)20(2)14(12)24;3-2(4,5)1(6)7/h17,23H,5-11H2,1-2H3;(H,6,7)