2-bromanyl-N-[3-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]ethanamide

Systemtic Name: 2-bromanyl-N-[3-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]ethanamide Openeye Name: 2-bromo-N-[3-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]acetamide CAS Name: 2-bromo-N-[3-[[(6-oxo-3,7-dihydropurin-8-yl)thio]methyl]phenyl]acetamide IUPAC Name: 2-bromo-N-[3-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]acetamide Traditional Name: 2-bromo-N-[3-[[(6-keto-3,7-dihydropurin-8-yl)thio]methyl]phenyl]acetamide Formula: C14H12BrN5O2S MolecularWeight: 394.24638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CBr)CSC2=NC3=C(N2)C(=O)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CBr)CSC2=NC3=C(N2)C(=O)N=CN3

InChI

InChI=1S/C14H12BrN5O2S/c15-5-10(21)18-9-3-1-2-8(4-9)6-23-14-19-11-12(20-14)16-7-17-13(11)22/h1-4,7H,5-6H2,(H,18,21)(H2,16,17,19,20,22)