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

Systemtic Name: 2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-isopropyl-1H-pyrimidin-4-one CAS Name: 2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylthio]-6-isopropyl-1H-pyrimidin-4-one Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-11(2)13-9-15(22)20-17(18-13)24-10-16-19-14(21-23-16)8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,20,22)