2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NN=C(O2)C3=CC(=CC=C3)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NN=C(O2)C3=CC(=CC=C3)C

InChI

InChI=1S/C17H18N4O2S/c1-3-5-13-9-14(22)19-17(18-13)24-10-15-20-21-16(23-15)12-7-4-6-11(2)8-12/h4,6-9H,3,5,10H2,1-2H3,(H,18,19,22)