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

Systemtic Name: 4,7-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC[NH+]4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC[NH+]4CCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H22N6O2/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)9-8-20-6-4-3-5-7-20/h10H,3-9H2,1-2H3,(H,18,23,24)/p+1