methyl 4-[(2-butyl-5-ethyl-6-oxidanyl-4-oxidanylidene-pyrimidin-1-yl)methyl]benzoate ethanoate

Systemtic Name: methyl 4-[(2-butyl-5-ethyl-6-oxidanyl-4-oxidanylidene-pyrimidin-1-yl)methyl]benzoate ethanoate Openeye Name: methyl 4-[(2-butyl-5-ethyl-6-hydroxy-4-oxo-pyrimidin-1-yl)methyl]benzoate acetate CAS Name: 4-[(2-butyl-5-ethyl-6-hydroxy-4-oxo-1-pyrimidinyl)methyl]benzoic acid methyl ester acetate IUPAC Name: methyl 4-[(2-butyl-5-ethyl-6-hydroxy-4-oxopyrimidin-1-yl)methyl]benzoate acetate Traditional Name: 4-[(2-butyl-5-ethyl-6-hydroxy-4-keto-pyrimidin-1-yl)methyl]benzoic acid methyl ester acetate Formula: C21H27N2O6- MolecularWeight: 403.44888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C(=C(N1CC2=CC=C(C=C2)C(=O)OC)O)CC.CC(=O)[O-]

Isomeric SMILES

CCCCC1=NC(=O)C(=C(N1CC2=CC=C(C=C2)C(=O)OC)O)CC.CC(=O)[O-]

InChI

InChI=1S/C19H24N2O4.C2H4O2/c1-4-6-7-16-20-17(22)15(5-2)18(23)21(16)12-13-8-10-14(11-9-13)19(24)25-3;1-2(3)4/h8-11,23H,4-7,12H2,1-3H3;1H3,(H,3,4)/p-1