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

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

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

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