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

Systemtic Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 6-propyl-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 6-propyl-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylthio]pyrimidin-4-olate Formula: C17H17N4O2S- MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NOC(=N2)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NOC(=N2)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C17H18N4O2S/c1-3-4-13-9-15(22)20-17(18-13)24-10-14-19-16(23-21-14)12-7-5-11(2)6-8-12/h5-9H,3-4,10H2,1-2H3,(H,18,20,22)/p-1