7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 7-ethyl-4-[(2-pyrimidinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-ethyl-4-[(2-pyrimidylthio)methyl]coumarin Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CC=N3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CC=N3

InChI

InChI=1S/C16H14N2O2S/c1-2-11-4-5-13-12(9-15(19)20-14(13)8-11)10-21-16-17-6-3-7-18-16/h3-9H,2,10H2,1H3