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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-6-(methylamino)-3H-purine-2-thione Openeye Name: 7-[(4-chlorophenyl)methyl]-6-(methylamino)-3H-purine-2-thione CAS Name: 7-[(4-chlorophenyl)methyl]-6-(methylamino)-3H-purine-2-thione IUPAC Name: 7-[(4-chlorophenyl)methyl]-6-(methylamino)-3H-purine-2-thione Traditional Name: 7-(4-chlorobenzyl)-6-(methylamino)-3H-purine-2-thione Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=S)NC2=C1N(C=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CNC1=NC(=S)NC2=C1N(C=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN5S/c1-15-11-10-12(18-13(20)17-11)16-7-19(10)6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,17,18,20)