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

Systemtic Name: pentyl 2-[2-methyl-4-oxidanylidene-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]hexanoate Openeye Name: pentyl 2-[2-methyl-4-oxo-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-5-yl]hexanoate CAS Name: 2-[2-methyl-4-oxo-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]hexanoic acid pentyl ester IUPAC Name: pentyl 2-[2-methyl-4-oxo-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]hexanoate Traditional Name: 2-[4-keto-2-methyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-5-yl]hexanoic acid amyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CCCC)C1=C(NC(=NC1=O)C)C=CC2=CC=NC=C2

Isomeric SMILES

CCCCCOC(=O)C(CCCC)C1=C(NC(=NC1=O)C)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C23H31N3O3/c1-4-6-8-16-29-23(28)19(9-7-5-2)21-20(25-17(3)26-22(21)27)11-10-18-12-14-24-15-13-18/h10-15,19H,4-9,16H2,1-3H3,(H,25,26,27)/b11-10+