[2-[4-azanyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[4-azanyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[6-amino-1-benzyl-3-(2-methoxy-2-oxo-ethyl)-2,4-dioxo-pyrimidin-5-yl]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[6-amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[6-amino-1-benzyl-2,4-diketo-3-(2-keto-2-methoxy-ethyl)pyrimidin-5-yl]-2-keto-ethyl] ester Formula: C23H20BrN3O7 MolecularWeight: 530.3248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H20BrN3O7/c1-33-18(29)12-27-21(30)19(17(28)13-34-22(31)15-7-9-16(24)10-8-15)20(25)26(23(27)32)11-14-5-3-2-4-6-14/h2-10H,11-13,25H2,1H3