2-[1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[1,3-dimethyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]purin-7-yl]acetamide Formula: C16H25N6O3+ MolecularWeight: 349.4081

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(N2CC(=O)N)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(N2CC(=O)N)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H24N6O3/c1-10-4-6-21(7-5-10)9-12-18-14-13(22(12)8-11(17)23)15(24)20(3)16(25)19(14)2/h10H,4-9H2,1-3H3,(H2,17,23)/p+1