1-[(E)-4-chloranylbut-2-enyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(E)-4-chloranylbut-2-enyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione Openeye Name: 1-[(E)-4-chlorobut-2-enyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione CAS Name: 1-[(E)-4-chlorobut-2-enyl]-6-[(3,5-dimethylphenyl)thio]-5-ethylpyrimidine-2,4-dione IUPAC Name: 1-[(E)-4-chlorobut-2-enyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione Traditional Name: 1-[(E)-4-chlorobut-2-enyl]-6-[(3,5-dimethylphenyl)thio]-5-ethyl-pyrimidine-2,4-quinone Formula: C18H21ClN2O2S MolecularWeight: 364.88954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC=CCCl)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)C/C=C/CCl)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H21ClN2O2S/c1-4-15-16(22)20-18(23)21(8-6-5-7-19)17(15)24-14-10-12(2)9-13(3)11-14/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,22,23)/b6-5+