6-phenyl-2-(phenylmethylsulfanyl)-5-prop-2-enyl-1H-pyrimidin-4-one

Systemtic Name: 6-phenyl-2-(phenylmethylsulfanyl)-5-prop-2-enyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-2-benzylsulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 6-phenyl-2-(phenylmethylthio)-5-prop-2-enyl-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-2-(benzylthio)-6-phenyl-1H-pyrimidin-4-one Formula: C20H18N2OS MolecularWeight: 334.43472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2OS/c1-2-9-17-18(16-12-7-4-8-13-16)21-20(22-19(17)23)24-14-15-10-5-3-6-11-15/h2-8,10-13H,1,9,14H2,(H,21,22,23)