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

Systemtic Name: 2-[1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purin-7-yl]acetamide Formula: C14H21N6O4+ MolecularWeight: 337.35434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC(=O)N

InChI

InChI=1S/C14H20N6O4/c1-17-12-11(13(22)18(2)14(17)23)20(7-9(15)21)10(16-12)8-19-3-5-24-6-4-19/h3-8H2,1-2H3,(H2,15,21)/p+1