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

Systemtic Name: 9-cyclohexyl-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-cyclohexyl-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-cyclohexyl-1-methyl-3-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-cyclohexyl-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-cyclohexyl-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H35N6O2+ MolecularWeight: 415.5523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCCN(C4=N2)C5CCCCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCCN(C4=N2)C5CCCCC5

InChI

InChI=1S/C22H34N6O2/c1-24-19-18(20(29)28(22(24)30)16-15-25-11-6-3-7-12-25)27-14-8-13-26(21(27)23-19)17-9-4-2-5-10-17/h17H,2-16H2,1H3/p+1