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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrazin-2-ylsulfanyl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrazin-2-ylsulfanyl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(2-pyrazinylthio)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrazin-2-ylsulfanylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(pyrazin-2-ylthio)purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H21F3N8O3S MolecularWeight: 510.49275

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CN=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CN=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H20N8OS.C2HF3O2/c1-3-4-9-26-14-15(22-17(26)25-10-7-19-8-11-25)23-18(24(2)16(14)27)28-13-12-20-5-6-21-13;3-2(4,5)1(6)7/h5-6,12,19H,7-11H2,1-2H3;(H,6,7)