2-[[5-(1-azido-2-bromanyl-ethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]methoxy]ethyl benzoate

Systemtic Name: 2-[[5-(1-azido-2-bromanyl-ethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]methoxy]ethyl benzoate Openeye Name: 2-[[5-(1-azido-2-bromo-ethyl)-2,4-dioxo-pyrimidin-1-yl]methoxy]ethyl benzoate CAS Name: benzoic acid 2-[[5-(1-azido-2-bromoethyl)-2,4-dioxo-1-pyrimidinyl]methoxy]ethyl ester IUPAC Name: 2-[[5-(1-azido-2-bromoethyl)-2,4-dioxopyrimidin-1-yl]methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(1-azido-2-bromo-ethyl)-2,4-diketo-pyrimidin-1-yl]methoxy]ethyl ester Formula: C16H16BrN5O5 MolecularWeight: 438.23274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCN2C=C(C(=O)NC2=O)C(CBr)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOCN2C=C(C(=O)NC2=O)C(CBr)N=[N+]=[N-]

InChI

InChI=1S/C16H16BrN5O5/c17-8-13(20-21-18)12-9-22(16(25)19-14(12)23)10-26-6-7-27-15(24)11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,19,23,25)