pentyl 3-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: pentyl 3-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: pentyl 3-[6-[(E)-2-(4-bromophenyl)vinyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid pentyl ester IUPAC Name: pentyl 3-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[6-[(E)-2-(4-bromophenyl)vinyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]propionic acid amyl ester Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCC1=C(NC(=NC1=O)C)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCOC(=O)CCC1=C(NC(=NC1=O)C)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O3/c1-3-4-5-14-27-20(25)13-11-18-19(23-15(2)24-21(18)26)12-8-16-6-9-17(22)10-7-16/h6-10,12H,3-5,11,13-14H2,1-2H3,(H,23,24,26)/b12-8+