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

Systemtic Name: 6-azanyl-2-[3-(2-bromanylphenoxy)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[3-(2-bromophenoxy)propylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[3-(2-bromophenoxy)propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[3-(2-bromophenoxy)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[3-(2-bromophenoxy)propylthio]-1H-pyrimidin-4-one Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCSC2=NC(=O)C=C(N2)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)OCCCSC2=NC(=O)C=C(N2)N)Br

InChI

InChI=1S/C13H14BrN3O2S/c14-9-4-1-2-5-10(9)19-6-3-7-20-13-16-11(15)8-12(18)17-13/h1-2,4-5,8H,3,6-7H2,(H3,15,16,17,18)