6-methyl-5-(phenylmethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(phenylmethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(phenylmethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-pyrimidin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-14-17(12-15-8-4-2-5-9-15)20(26)24-21(22-14)28-13-18-23-19(25-27-18)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,22,24,26)