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

Systemtic Name: 2-[3-methyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[3-methyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[3-methyl-8-(4-morpholin-4-iumylmethyl)-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[3-methyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purin-7-yl]acetamide Formula: C13H19N6O4+ MolecularWeight: 323.32776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CC(=O)N

InChI

InChI=1S/C13H18N6O4/c1-17-11-10(12(21)16-13(17)22)19(6-8(14)20)9(15-11)7-18-2-4-23-5-3-18/h2-7H2,1H3,(H2,14,20)(H,16,21,22)/p+1