6-[(4-chlorophenyl)methylsulfanyl]-9-propyl-purin-2-amine

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-propyl-purin-2-amine Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-propyl-purin-2-amine CAS Name: 6-[(4-chlorophenyl)methylthio]-9-propyl-2-purinamine IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-propylpurin-2-amine Traditional Name: [6-[(4-chlorobenzyl)thio]-9-propyl-purin-2-yl]amine Formula: C15H16ClN5S MolecularWeight: 333.83904

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C15H16ClN5S/c1-2-7-21-9-18-12-13(21)19-15(17)20-14(12)22-8-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,17,19,20)