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

Systemtic Name: 6-azanyl-2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-phenyl-1H-pyrimidin-4-one Formula: C19H14BrN5O2S MolecularWeight: 456.31576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=NC(=NO3)C4=CC=C(C=C4)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=NC(=NO3)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C19H14BrN5O2S/c20-13-8-6-12(7-9-13)17-22-14(27-25-17)10-28-19-23-16(21)15(18(26)24-19)11-4-2-1-3-5-11/h1-9H,10H2,(H3,21,23,24,26)