N-(4-bromophenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(6-keto-3,7-dihydropurin-2-yl)thio]acetamide Formula: C13H10BrN5O2S MolecularWeight: 380.2198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C3=C(N2)N=CN3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C3=C(N2)N=CN3)Br

InChI

InChI=1S/C13H10BrN5O2S/c14-7-1-3-8(4-2-7)17-9(20)5-22-13-18-11-10(12(21)19-13)15-6-16-11/h1-4,6H,5H2,(H,17,20)(H2,15,16,18,19,21)