6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-4-one hydrochloride

Systemtic Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-4-one hydrochloride Openeye Name: 2-[(E)-cinnamyl]sulfanyl-6-methyl-1H-pyrimidin-4-one hydrochloride CAS Name: 6-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-4-one hydrochloride IUPAC Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-4-one hydrochloride Traditional Name: 2-[[(E)-cinnamyl]thio]-6-methyl-1H-pyrimidin-4-one hydrochloride Formula: C14H15ClN2OS MolecularWeight: 294.7997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC=CC2=CC=CC=C2.Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC/C=C/C2=CC=CC=C2.Cl

InChI

InChI=1S/C14H14N2OS.ClH/c1-11-10-13(17)16-14(15-11)18-9-5-8-12-6-3-2-4-7-12;/h2-8,10H,9H2,1H3,(H,15,16,17);1H/b8-5+;