1,3-dimethyl-7-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-9H-purin-7-ium-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]-9H-purin-7-ium-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-9H-purin-7-ium-2,6-dione Traditional Name: 7-[2-keto-2-(2-methylpiperidino)ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C15H22N5O3+ MolecularWeight: 320.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCCN1C(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H21N5O3/c1-10-6-4-5-7-20(10)11(21)8-19-9-16-13-12(19)14(22)18(3)15(23)17(13)2/h9-10H,4-8H2,1-3H3/p+1