2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]ethanamide Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]acetamide CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-piperidin-1-iumylmethyl)-7-purinyl]acetamide IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]acetamide Formula: C15H23N6O3+ MolecularWeight: 335.38152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCCCC3)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCCCC3)CC(=O)N

InChI

InChI=1S/C15H22N6O3/c1-18-13-12(14(23)19(2)15(18)24)21(8-10(16)22)11(17-13)9-20-6-4-3-5-7-20/h3-9H2,1-2H3,(H2,16,22)/p+1