8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-3-[2-(2-chlorophenyl)ethyl]purin-6-amine

Systemtic Name: 8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-3-[2-(2-chlorophenyl)ethyl]purin-6-amine Openeye Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-3-[2-(2-chlorophenyl)ethyl]purin-6-amine CAS Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-3-[2-(2-chlorophenyl)ethyl]-6-purinamine IUPAC Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-3-[2-(2-chlorophenyl)ethyl]purin-6-amine Traditional Name: [8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-3-[2-(2-chlorophenyl)ethyl]purin-6-yl]amine Formula: C20H15BrClN5O2S MolecularWeight: 504.7874

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N=CN(C4=N3)CCC5=CC=CC=C5Cl)N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N=CN(C4=N3)CCC5=CC=CC=C5Cl)N

InChI

InChI=1S/C20H15BrClN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-25-17-18(23)24-9-27(19(17)26-20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10,23H2