2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxidanyl-1-prop-2-enyl-pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxidanyl-1-prop-2-enyl-pyrimidin-4-one Openeye Name: 1-allyl-2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-hydroxy-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-ethyl-6-hydroxy-1-prop-2-enyl-4-pyrimidinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one Traditional Name: 1-allyl-2-[(4-chlorobenzyl)thio]-5-ethyl-6-hydroxy-pyrimidin-4-one Formula: C16H17ClN2O2S MolecularWeight: 336.83638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC2=CC=C(C=C2)Cl)CC=C)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC2=CC=C(C=C2)Cl)CC=C)O

InChI

InChI=1S/C16H17ClN2O2S/c1-3-9-19-15(21)13(4-2)14(20)18-16(19)22-10-11-5-7-12(17)8-6-11/h3,5-8,21H,1,4,9-10H2,2H3