2-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(OC(=N2)C3=C(C=CC(=C3)Br)OC)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(OC(=N2)C3=C(C=CC(=C3)Br)OC)C

InChI

InChI=1S/C19H20BrN3O3S/c1-4-5-13-9-17(24)23-19(21-13)27-10-15-11(2)26-18(22-15)14-8-12(20)6-7-16(14)25-3/h6-9H,4-5,10H2,1-3H3,(H,21,23,24)