6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclopentyl-4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H31N6O2+ MolecularWeight: 399.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C

InChI

InChI=1S/C21H30N6O2/c1-15-14-26-17-18(22-20(26)27(15)16-8-4-5-9-16)23(2)21(29)25(19(17)28)13-12-24-10-6-3-7-11-24/h14,16H,3-13H2,1-2H3/p+1