8-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxidanidyl-2,9-dihydropurin-3-ium

Systemtic Name: 8-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxidanidyl-2,9-dihydropurin-3-ium Openeye Name: 8-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxido-2,9-dihydropurin-3-ium CAS Name: 8-(4-bromophenyl)-3-ethyl-6-(methylthio)-3-oxido-2,9-dihydropurin-3-ium IUPAC Name: 8-(4-bromophenyl)-3-ethyl-6-methylsulfanyl-3-oxido-2,9-dihydropurin-3-ium Traditional Name: 8-(4-bromophenyl)-3-ethyl-6-(methylthio)-3-oxido-2,9-dihydropurin-3-ium Formula: C14H15BrN4OS MolecularWeight: 367.2641

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CN=C(C2=C1NC(=N2)C3=CC=C(C=C3)Br)SC)[O-]

Isomeric SMILES

CC[N+]1(CN=C(C2=C1NC(=N2)C3=CC=C(C=C3)Br)SC)[O-]

InChI

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