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

Systemtic Name: 1-methyl-7-(phenylmethyl)-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-benzyl-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 1-methyl-7-(phenylmethyl)-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-benzyl-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-benzyl-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C19H21F3N6O3 MolecularWeight: 438.40365

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1C=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H20N6O.C2HF3O2/c1-21-12-19-15-14(16(21)24)23(11-13-5-3-2-4-6-13)17(20-15)22-9-7-18-8-10-22;3-2(4,5)1(6)7/h2-6,12,18H,7-11H2,1H3;(H,6,7)