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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-3-4-8-15-26-20(24)14-12-18-19(22-16(2)23-21(18)25)13-11-17-9-6-5-7-10-17/h5-7,9-11,13H,3-4,8,12,14-15H2,1-2H3,(H,22,23,25)/b13-11+