N-(4-bromophenyl)-2-methylsulfanyl-7H-purin-6-amine

Systemtic Name: N-(4-bromophenyl)-2-methylsulfanyl-7H-purin-6-amine Openeye Name: N-(4-bromophenyl)-2-methylsulfanyl-7H-purin-6-amine CAS Name: N-(4-bromophenyl)-2-(methylthio)-7H-purin-6-amine IUPAC Name: N-(4-bromophenyl)-2-methylsulfanyl-7H-purin-6-amine Traditional Name: (4-bromophenyl)-[2-(methylthio)-7H-purin-6-yl]amine Formula: C12H10BrN5S MolecularWeight: 336.2103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)NC3=CC=C(C=C3)Br)NC=N2

Isomeric SMILES

CSC1=NC2=C(C(=N1)NC3=CC=C(C=C3)Br)NC=N2

InChI

InChI=1S/C12H10BrN5S/c1-19-12-17-10-9(14-6-15-10)11(18-12)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17,18)