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

Systemtic Name: methyl 2-[3-methyl-8-(morpholin-4-ium-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H20N5O5+ MolecularWeight: 338.3391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O5/c1-17-12-11(13(21)16-14(17)22)19(8-10(20)23-2)9(15-12)7-18-3-5-24-6-4-18/h3-8H2,1-2H3,(H,16,21,22)/p+1