(5-hexoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate

Systemtic Name: (5-hexoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate Openeye Name: (5-hexoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (5-hexoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-hexoxy-4-phenylpyrimidin-2-yl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (5-hexoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

InChI

InChI=1S/C21H28N2O3/c1-4-6-7-11-14-25-18-15-22-21(26-20(24)16(3)5-2)23-19(18)17-12-9-8-10-13-17/h8-10,12-13,15-16H,4-7,11,14H2,1-3H3