3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-7-yl]propanoate; diethylazanium

Systemtic Name: 3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-7-yl]propanoate; diethylazanium Openeye Name: 3-(8-bromo-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)propanoate; diethylammonium CAS Name: 3-(8-bromo-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)propanoate; diethylammonium IUPAC Name: 3-(8-bromo-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)propanoate; diethylazanium Traditional Name: 3-(8-bromo-2,6-diketo-3-methyl-4,5-dihydropurin-7-yl)propionate; diethylammonium Formula: C13H22BrN5O4 MolecularWeight: 392.24888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.CN1C2C(C(=O)NC1=O)N(C(=N2)Br)CCC(=O)[O-]

Isomeric SMILES

CC[NH2+]CC.CN1C2C(C(=O)NC1=O)N(C(=N2)Br)CCC(=O)[O-]

InChI

InChI=1S/C9H11BrN4O4.C4H11N/c1-13-6-5(7(17)12-9(13)18)14(8(10)11-6)3-2-4(15)16;1-3-5-4-2/h5-6H,2-3H2,1H3,(H,15,16)(H,12,17,18);5H,3-4H2,1-2H3