6-[(4-chlorophenyl)amino]-1,7-dihydropurine-2-thione

Systemtic Name: 6-[(4-chlorophenyl)amino]-1,7-dihydropurine-2-thione Openeye Name: 6-(4-chloroanilino)-1,7-dihydropurine-2-thione CAS Name: 6-(4-chloroanilino)-1,7-dihydropurine-2-thione IUPAC Name: 6-(4-chloroanilino)-1,7-dihydropurine-2-thione Traditional Name: 6-(4-chloroanilino)-1,7-dihydropurine-2-thione Formula: C11H8ClN5S MolecularWeight: 277.73272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C3C(=NC(=S)N2)N=CN3)Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=C3C(=NC(=S)N2)N=CN3)Cl

InChI

InChI=1S/C11H8ClN5S/c12-6-1-3-7(4-2-6)15-10-8-9(14-5-13-8)16-11(18)17-10/h1-5H,(H3,13,14,15,16,17,18)