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

Systemtic Name: 7-but-2-ynyl-1-methyl-2-(1-methylimidazol-2-yl)sulfanyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-1-methyl-2-(1-methylimidazol-2-yl)sulfanyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-1-methyl-2-[(1-methyl-2-imidazolyl)thio]-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-1-methyl-2-(1-methylimidazol-2-yl)sulfanyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-1-methyl-2-[(1-methylimidazol-2-yl)thio]-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H23F3N8O3S MolecularWeight: 512.50863

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CN4C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CN4C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H22N8OS.C2HF3O2/c1-4-5-9-26-13-14(21-16(26)25-11-6-19-7-12-25)22-18(24(3)15(13)27)28-17-20-8-10-23(17)2;3-2(4,5)1(6)7/h8,10,19H,6-7,9,11-12H2,1-3H3;(H,6,7)