butyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate

Systemtic Name: butyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: butyl 3-[2-methyl-4-oxo-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-methyl-4-oxo-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoic acid butyl ester IUPAC Name: butyl 3-[2-methyl-4-oxo-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-2-methyl-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propionic acid butyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=C(NC(=NC1=O)C)C=C(C)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)CCC1=C(NC(=NC1=O)C)/C=C(\C)/C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-4-5-13-26-20(24)12-11-18-19(22-16(3)23-21(18)25)14-15(2)17-9-7-6-8-10-17/h6-10,14H,4-5,11-13H2,1-3H3,(H,22,23,25)/b15-14+