5-hexadecyl-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 5-hexadecyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 5-hexadecyl-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-hexadecyl-3,6-dimethyl-4-pyrimidinone IUPAC Name: 5-hexadecyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-cetyl-3,6-dimethyl-pyrimidin-4-one Formula: C22H40N2O MolecularWeight: 348.5658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(N=CN(C1=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(N=CN(C1=O)C)C

InChI

InChI=1S/C22H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(2)23-19-24(3)22(21)25/h19H,4-18H2,1-3H3