9-[(2-chlorophenyl)methyl]-8-phenethylsulfanyl-purin-6-amine

Systemtic Name: 9-[(2-chlorophenyl)methyl]-8-phenethylsulfanyl-purin-6-amine Openeye Name: 9-[(2-chlorophenyl)methyl]-8-phenethylsulfanyl-purin-6-amine CAS Name: 9-[(2-chlorophenyl)methyl]-8-(phenethylthio)-6-purinamine IUPAC Name: 9-[(2-chlorophenyl)methyl]-8-phenethylsulfanylpurin-6-amine Traditional Name: [9-(2-chlorobenzyl)-8-(phenethylthio)purin-6-yl]amine Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(N2CC4=CC=CC=C4Cl)N=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(N2CC4=CC=CC=C4Cl)N=CN=C3N

InChI

InChI=1S/C20H18ClN5S/c21-16-9-5-4-8-15(16)12-26-19-17(18(22)23-13-24-19)25-20(26)27-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H2,22,23,24)