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

Systemtic Name: 4,7-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-[2-(1-pyrrolidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-(2-pyrrolidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C15H21N6O2+ MolecularWeight: 317.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC[NH+]4CCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC[NH+]4CCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H20N6O2/c1-10-9-21-11-12(18(2)15(23)17-13(11)22)16-14(21)20(10)8-7-19-5-3-4-6-19/h9H,3-8H2,1-2H3,(H,17,22,23)/p+1