N-[(4-chlorophenyl)methyl]-8-methylsulfanyl-5H-purin-6-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-methylsulfanyl-5H-purin-6-amine Openeye Name: N-[(4-chlorophenyl)methyl]-8-methylsulfanyl-5H-purin-6-amine CAS Name: N-[(4-chlorophenyl)methyl]-8-(methylthio)-5H-purin-6-amine IUPAC Name: N-[(4-chlorophenyl)methyl]-8-methylsulfanyl-5H-purin-6-amine Traditional Name: (4-chlorobenzyl)-[8-(methylthio)-5H-purin-6-yl]amine Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2C(=N1)N=CN=C2NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC2C(=N1)N=CN=C2NCC3=CC=C(C=C3)Cl

InChI

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