1-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxidanidyl-2H-purin-3-ium

Systemtic Name: 1-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxidanidyl-2H-purin-3-ium Openeye Name: 1-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxido-2H-purin-3-ium CAS Name: 1-(4-bromophenyl)-3-ethyl-6-(methylthio)-3-oxido-2H-purin-3-ium IUPAC Name: 1-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxido-2H-purin-3-ium Traditional Name: 1-(4-bromophenyl)-3-ethyl-6-(methylthio)-3-oxido-2H-purin-3-ium Formula: C14H15BrN4OS MolecularWeight: 367.2641

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CN(C(=C2C1=NC=N2)SC)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

CC[N+]1(CN(C(=C2C1=NC=N2)SC)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C14H15BrN4OS/c1-3-19(20)9-18(11-6-4-10(15)5-7-11)14(21-2)12-13(19)17-8-16-12/h4-8H,3,9H2,1-2H3