6-butyl-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one

Systemtic Name: 6-butyl-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one Openeye Name: 6-butyl-5-tetradecyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-butyl-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one IUPAC Name: 6-butyl-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one Traditional Name: 6-butyl-5-myristyl-2-thioxo-1H-pyrimidin-4-one Formula: C22H40N2OS MolecularWeight: 380.6308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCC

InChI

InChI=1S/C22H40N2OS/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(18-6-4-2)23-22(26)24-21(19)25/h3-18H2,1-2H3,(H2,23,24,25,26)