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

Systemtic Name: ethyl 2-[3-methyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 2-[3-methyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-8-(4-morpholin-4-iumylmethyl)-2,6-dioxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purin-7-yl]acetic acid ethyl ester Formula: C15H22N5O5+ MolecularWeight: 352.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H21N5O5/c1-3-25-11(21)9-20-10(8-19-4-6-24-7-5-19)16-13-12(20)14(22)17-15(23)18(13)2/h3-9H2,1-2H3,(H,17,22,23)/p+1