6-[(3-bromophenyl)amino]-1,7-dihydropurine-2-thione

Systemtic Name: 6-[(3-bromophenyl)amino]-1,7-dihydropurine-2-thione Openeye Name: 6-(3-bromoanilino)-1,7-dihydropurine-2-thione CAS Name: 6-(3-bromoanilino)-1,7-dihydropurine-2-thione IUPAC Name: 6-(3-bromoanilino)-1,7-dihydropurine-2-thione Traditional Name: 6-(3-bromoanilino)-1,7-dihydropurine-2-thione Formula: C11H8BrN5S MolecularWeight: 322.18372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C3C(=NC(=S)N2)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C3C(=NC(=S)N2)N=CN3

InChI

InChI=1S/C11H8BrN5S/c12-6-2-1-3-7(4-6)15-10-8-9(14-5-13-8)16-11(18)17-10/h1-5H,(H3,13,14,15,16,17,18)