6-(4-fluorophenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-fluorophenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-fluorophenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-fluorophenyl)-4-methyl-7-phenyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-fluorophenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-fluorophenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C27H28FN6O2+ MolecularWeight: 487.548623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4C=C(N(C4=N2)C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4C=C(N(C4=N2)C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C27H27FN6O2/c1-30-24-23(25(35)32(27(30)36)17-16-31-14-6-3-7-15-31)33-18-22(19-8-4-2-5-9-19)34(26(33)29-24)21-12-10-20(28)11-13-21/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3/p+1