pentyl 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: pentyl 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]ethanoate Openeye Name: pentyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]acetate CAS Name: 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]acetic acid pentyl ester IUPAC Name: pentyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]acetate Traditional Name: 2-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)acetic acid amyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)CC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4/c1-2-3-7-10-24-16(22)11-14-17(13-8-5-4-6-9-13)19-15(12-21)20-18(14)23/h4-6,8-9,21H,2-3,7,10-12H2,1H3,(H,19,20,23)