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

Systemtic Name: 6-(3-methoxyphenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-methoxyphenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-methoxyphenyl)-4-methyl-7-phenyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-methoxyphenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-methoxyphenyl)-4-methyl-7-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C28H31N6O3+ MolecularWeight: 499.58414

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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(=CC=C5)OC)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O3/c1-30-25-24(26(35)32(28(30)36)17-16-31-14-7-4-8-15-31)33-19-23(20-10-5-3-6-11-20)34(27(33)29-25)21-12-9-13-22(18-21)37-2/h3,5-6,9-13,18-19H,4,7-8,14-17H2,1-2H3/p+1