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

Systemtic Name: 6-(furan-2-ylmethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-furylmethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-furanylmethyl)-4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(furan-2-ylmethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-furfuryl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H27N6O3+ MolecularWeight: 411.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC4=CC=CO4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC4=CC=CO4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C

InChI

InChI=1S/C21H26N6O3/c1-15-13-27-17-18(22-20(27)26(15)14-16-7-6-12-30-16)23(2)21(29)25(19(17)28)11-10-24-8-4-3-5-9-24/h6-7,12-13H,3-5,8-11,14H2,1-2H3/p+1