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

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C16H16BrN3O5 MolecularWeight: 410.21934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC(=CC=C2)Br)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC(=CC=C2)Br)N

InChI

InChI=1S/C16H16BrN3O5/c1-2-6-20-13(18)12(14(22)19-16(20)24)11(21)8-25-15(23)9-4-3-5-10(17)7-9/h3-5,7H,2,6,8,18H2,1H3,(H,19,22,24)