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

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate; morpholin-4-ium Openeye Name: 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetate; morpholin-4-ium CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)acetate; morpholin-4-ium IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate; morpholin-4-ium Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetate; morpholin-4-ium Formula: C12H16BrN5O5 MolecularWeight: 390.18994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)[O-].C1COCC[NH2+]1

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)[O-].C1COCC[NH2+]1

InChI

InChI=1S/C8H7BrN4O4.C4H9NO/c1-12-5-4(6(16)11-8(12)17)13(2-3(14)15)7(9)10-5;1-3-6-4-2-5-1/h2H2,1H3,(H,14,15)(H,11,16,17);5H,1-4H2