methyl 4-[4-[[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[(5-bromo-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]butanoate CAS Name: 4-[4-[(5-bromo-2,4-dioxo-1-pyrimidinyl)methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanoate Traditional Name: 4-[4-[(5-bromo-2,4-diketo-pyrimidin-1-yl)methyl]phenyl]butyric acid methyl ester Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)Br

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)Br

InChI

InChI=1S/C16H17BrN2O4/c1-23-14(20)4-2-3-11-5-7-12(8-6-11)9-19-10-13(17)15(21)18-16(19)22/h5-8,10H,2-4,9H2,1H3,(H,18,21,22)