8-[[2-(bromomethylamino)phenyl]methylsulfanyl]-5,9-dihydropurin-6-one

Systemtic Name: 8-[[2-(bromomethylamino)phenyl]methylsulfanyl]-5,9-dihydropurin-6-one Openeye Name: 8-[[2-(bromomethylamino)phenyl]methylsulfanyl]-5,9-dihydropurin-6-one CAS Name: 8-[[2-(bromomethylamino)phenyl]methylthio]-5,9-dihydropurin-6-one IUPAC Name: 8-[[2-(bromomethylamino)phenyl]methylsulfanyl]-5,9-dihydropurin-6-one Traditional Name: 8-[[2-(bromomethylamino)benzyl]thio]-5,9-dihydropurin-6-one Formula: C13H12BrN5OS MolecularWeight: 366.23628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3C(=NC=NC3=O)N2)NCBr

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3C(=NC=NC3=O)N2)NCBr

InChI

InChI=1S/C13H12BrN5OS/c14-6-15-9-4-2-1-3-8(9)5-21-13-18-10-11(19-13)16-7-17-12(10)20/h1-4,7,10,15H,5-6H2,(H,16,17,18,19,20)