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

Systemtic Name: 6-(2-ethoxyphenyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethoxyphenyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethoxyphenyl)-4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethoxyphenyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-o-phenetyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C24H31N6O3+ MolecularWeight: 451.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5)C

InChI

InChI=1S/C24H30N6O3/c1-4-33-19-11-7-6-10-18(19)30-17(2)16-29-20-21(25-23(29)30)26(3)24(32)28(22(20)31)15-14-27-12-8-5-9-13-27/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3/p+1