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

Systemtic Name: pentyl 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoate Openeye Name: pentyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoate CAS Name: 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methylpropanoic acid pentyl ester IUPAC Name: pentyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methylpropanoate Traditional Name: 3-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)-2-methyl-propionic acid amyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-3-4-8-11-26-20(25)14(2)12-16-18(15-9-6-5-7-10-15)21-17(13-23)22-19(16)24/h5-7,9-10,14,23H,3-4,8,11-13H2,1-2H3,(H,21,22,24)