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

Systemtic Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O2S/c1-2-6-12-9-13(21)18-16(17-12)23-10-14-19-15(20-22-14)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,17,18,21)