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

Systemtic Name: pentyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: pentyl 3-[2-methyl-4-oxo-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-methyl-4-oxo-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-5-yl]propanoic acid pentyl ester IUPAC Name: pentyl 3-[2-methyl-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-2-methyl-6-[(E)-2-(3-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=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-3-4-5-13-26-19(24)11-9-17-18(22-15(2)23-20(17)25)10-8-16-7-6-12-21-14-16/h6-8,10,12,14H,3-5,9,11,13H2,1-2H3,(H,22,23,25)/b10-8+