6-azanyl-2-[2-(3-bromanylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(3-bromanylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(3-bromophenoxy)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-(3-bromophenoxy)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(3-bromophenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[2-(3-bromophenoxy)ethylthio]-1H-pyrimidin-4-one Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H12BrN3O2S/c13-8-2-1-3-9(6-8)18-4-5-19-12-15-10(14)7-11(17)16-12/h1-3,6-7H,4-5H2,(H3,14,15,16,17)