[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

InChI

InChI=1S/C18H16BrN3O6/c1-8-10-6-9(19)4-5-12(10)28-14(8)17(25)27-7-11(23)13-15(20)21(2)18(26)22(3)16(13)24/h4-6H,7,20H2,1-3H3