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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1-thiophen-2-ylethylsulfanyl)purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[1-(2-thienyl)ethylsulfanyl]purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(1-thiophen-2-ylethylthio)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1-thiophen-2-ylethylsulfanyl)purin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-[1-(2-thienyl)ethylthio]purin-6-one; 2,2,2-trifluoroacetic acid Formula: C22H25F3N6O3S2 MolecularWeight: 542.59751

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC(C)C4=CC=CS4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC(C)C4=CC=CS4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H24N6OS2.C2HF3O2/c1-4-5-10-26-16-17(22-19(26)25-11-8-21-9-12-25)23-20(24(3)18(16)27)29-14(2)15-7-6-13-28-15;3-2(4,5)1(6)7/h6-7,13-14,21H,8-12H2,1-3H3;(H,6,7)