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

Systemtic Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-9-(2-methylpropyl)purin-2-amine Openeye Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-9-isobutyl-purin-2-amine CAS Name: 6-[(2,4-dichlorophenyl)methylthio]-9-(2-methylpropyl)-2-purinamine IUPAC Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-9-(2-methylpropyl)purin-2-amine Traditional Name: [6-[(2,4-dichlorobenzyl)thio]-9-isobutyl-purin-2-yl]amine Formula: C16H17Cl2N5S MolecularWeight: 382.31068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2N5S/c1-9(2)6-23-8-20-13-14(23)21-16(19)22-15(13)24-7-10-3-4-11(17)5-12(10)18/h3-5,8-9H,6-7H2,1-2H3,(H2,19,21,22)