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

Systemtic Name: 1-methyl-9-(3-methylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-9-(m-tolyl)-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(3-methylphenyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-9-(3-methylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-9-(m-tolyl)-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5

InChI

InChI=1S/C23H30N6O2/c1-17-8-6-9-18(16-17)27-12-7-13-28-19-20(24-22(27)28)25(2)23(31)29(21(19)30)15-14-26-10-4-3-5-11-26/h6,8-9,16H,3-5,7,10-15H2,1-2H3/p+1