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

Systemtic Name: pentyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: pentyl 3-[2-methyl-4-oxo-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-methyl-4-oxo-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]propanoic acid pentyl ester IUPAC Name: pentyl 3-[2-methyl-4-oxo-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-2-methyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-5-yl]propionic acid amyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-3-4-5-14-26-19(24)9-7-17-18(22-15(2)23-20(17)25)8-6-16-10-12-21-13-11-16/h6,8,10-13H,3-5,7,9,14H2,1-2H3,(H,22,23,25)/b8-6+