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

Systemtic Name: 4-methyl-6-(4-phenoxyphenyl)-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-6-(4-phenoxyphenyl)-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-6-(4-phenoxyphenyl)-2-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-6-(4-phenoxyphenyl)-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-6-(4-phenoxyphenyl)-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C27H31N6O3+ MolecularWeight: 487.57344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C27H30N6O3/c1-29-24-23(25(34)33(27(29)35)17-16-30-14-6-3-7-15-30)32-19-18-31(26(32)28-24)20-10-12-22(13-11-20)36-21-8-4-2-5-9-21/h2,4-5,8-13H,3,6-7,14-19H2,1H3/p+1