9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H33N6O3+ MolecularWeight: 453.55722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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