3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate; diethyl(2-hydroxyethyl)azanium

Systemtic Name: 3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate; diethyl(2-hydroxyethyl)azanium Openeye Name: 3-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propanoate; diethyl(2-hydroxyethyl)ammonium CAS Name: 3-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)propanoate; diethyl(2-hydroxyethyl)ammonium IUPAC Name: 3-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)propanoate; diethyl(2-hydroxyethyl)azanium Traditional Name: 3-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)propionate; diethyl(2-hydroxyethyl)ammonium Formula: C15H24BrN5O5 MolecularWeight: 434.28556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCO.CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCO.CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC(=O)[O-]

InChI

InChI=1S/C9H9BrN4O4.C6H15NO/c1-13-6-5(7(17)12-9(13)18)14(8(10)11-6)3-2-4(15)16;1-3-7(4-2)5-6-8/h2-3H2,1H3,(H,15,16)(H,12,17,18);8H,3-6H2,1-2H3