5-ethyl-6-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-ethyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-ethyl-2-thioxo-1H-pyrimidin-4-one Formula: C13H14N2OS MolecularWeight: 246.32806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=S)NC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(NC(=S)NC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2OS/c1-2-10-11(14-13(17)15-12(10)16)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,15,16,17)