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

Systemtic Name: 7-tert-butyl-2,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-tert-butyl-2,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-tert-butyl-2,4-dimethyl-6-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-tert-butyl-2,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-tert-butyl-2,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H31N6O2+ MolecularWeight: 387.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C3=C(N=C2N1CC[NH+]4CCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CN2C3=C(N=C2N1CC[NH+]4CCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H30N6O2/c1-20(2,3)14-13-26-15-16(22(4)19(28)23(5)17(15)27)21-18(26)25(14)12-11-24-9-7-6-8-10-24/h13H,6-12H2,1-5H3/p+1