6-(2,6-dimethyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)hexanoate

Systemtic Name: 6-(2,6-dimethyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)hexanoate Openeye Name: 6-(2,6-dimethyl-4-oxo-5-phenyl-pyrimidin-1-yl)hexanoate CAS Name: 6-(2,6-dimethyl-4-oxo-5-phenyl-1-pyrimidinyl)hexanoate IUPAC Name: 6-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)hexanoate Traditional Name: 6-(4-keto-2,6-dimethyl-5-phenyl-pyrimidin-1-yl)hexanoate Formula: C18H21N2O3- MolecularWeight: 313.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1CCCCCC(=O)[O-])C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1CCCCCC(=O)[O-])C)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3/c1-13-17(15-9-5-3-6-10-15)18(23)19-14(2)20(13)12-8-4-7-11-16(21)22/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,21,22)/p-1