2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C21H33N6O3+ MolecularWeight: 417.52512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H32N6O3/c1-24-18-17(19(29)25(2)20(24)30)26(15-23-18)13-16(28)22-14-21(9-5-3-6-10-21)27-11-7-4-8-12-27/h15H,3-14H2,1-2H3,(H,22,28)/p+1