9-(4-ethoxyphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(4-ethoxyphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(4-ethoxyphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-ethoxyphenyl)-1-methyl-3-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-ethoxyphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-9-p-phenetyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H33N6O3+ MolecularWeight: 453.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5

InChI

InChI=1S/C24H32N6O3/c1-3-33-19-10-8-18(9-11-19)28-14-7-15-29-20-21(25-23(28)29)26(2)24(32)30(22(20)31)17-16-27-12-5-4-6-13-27/h8-11H,3-7,12-17H2,1-2H3/p+1