[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C14H12BrN3O5 MolecularWeight: 382.16618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC=CC=C2Br)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC=CC=C2Br)N

InChI

InChI=1S/C14H12BrN3O5/c1-18-11(16)10(12(20)17-14(18)22)9(19)6-23-13(21)7-4-2-3-5-8(7)15/h2-5H,6,16H2,1H3,(H,17,20,22)