1-methyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-methyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-methyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione; 2,2,2-trifluoroacetic acid CAS Name: 1-methyl-8-(1-piperazinyl)-3,7-dihydropurine-2,6-dione; 2,2,2-trifluoroacetic acid IUPAC Name: 1-methyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione; 2,2,2-trifluoroacetic acid Traditional Name: 1-methyl-8-piperazino-7H-xanthine; 2,2,2-trifluoroacetic acid Formula: C12H15F3N6O4 MolecularWeight: 364.28051

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2)N3CCNCC3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2)N3CCNCC3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C10H14N6O2.C2HF3O2/c1-15-8(17)6-7(14-10(15)18)13-9(12-6)16-4-2-11-3-5-16;3-2(4,5)1(6)7/h11H,2-5H2,1H3,(H,12,13)(H,14,18);(H,6,7)