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

Systemtic Name: 1-ethyl-7-(phenylmethyl)-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-benzyl-1-ethyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 1-ethyl-7-(phenylmethyl)-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-benzyl-1-ethyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H23F3N6O3 MolecularWeight: 452.43023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCN1C=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H22N6O.C2HF3O2/c1-2-22-13-20-16-15(17(22)25)24(12-14-6-4-3-5-7-14)18(21-16)23-10-8-19-9-11-23;3-2(4,5)1(6)7/h3-7,13,19H,2,8-12H2,1H3;(H,6,7)