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

Systemtic Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-5-6-9-7-10(19)16-13(15-9)21-8-11-17-12(18-20-11)14(2,3)4/h7H,5-6,8H2,1-4H3,(H,15,16,19)