9-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(4-methoxyphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCCN(C4=N2)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCCN(C4=N2)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H30N6O3/c1-25-20-19(21(30)29(23(25)31)16-15-26-11-4-3-5-12-26)28-14-6-13-27(22(28)24-20)17-7-9-18(32-2)10-8-17/h7-10H,3-6,11-16H2,1-2H3/p+1