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

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-(2-methylpropyl)purin-2-amine Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-isobutyl-purin-2-amine CAS Name: 6-[(4-chlorophenyl)methylthio]-9-(2-methylpropyl)-2-purinamine IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-(2-methylpropyl)purin-2-amine Traditional Name: [6-[(4-chlorobenzyl)thio]-9-isobutyl-purin-2-yl]amine Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H18ClN5S/c1-10(2)7-22-9-19-13-14(22)20-16(18)21-15(13)23-8-11-3-5-12(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20,21)