7-[2-(4-chlorophenyl)sulfanylethyl]-6-(methylamino)-3H-purine-2-thione

Systemtic Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-6-(methylamino)-3H-purine-2-thione Openeye Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-6-(methylamino)-3H-purine-2-thione CAS Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-6-(methylamino)-3H-purine-2-thione IUPAC Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-6-(methylamino)-3H-purine-2-thione Traditional Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-6-(methylamino)-3H-purine-2-thione Formula: C14H14ClN5S2 MolecularWeight: 351.87746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=S)NC2=C1N(C=N2)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CNC1=NC(=S)NC2=C1N(C=N2)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H14ClN5S2/c1-16-12-11-13(19-14(21)18-12)17-8-20(11)6-7-22-10-4-2-9(15)3-5-10/h2-5,8H,6-7H2,1H3,(H2,16,18,19,21)