8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-methyl-2-phenyl-pentyl)purin-6-amine

Systemtic Name: 8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-methyl-2-phenyl-pentyl)purin-6-amine Openeye Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-methyl-2-phenyl-pentyl)purin-6-amine CAS Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-(3-methyl-2-phenylpentyl)-6-purinamine IUPAC Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-methyl-2-phenylpentyl)purin-6-amine Traditional Name: [8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-(3-methyl-2-phenyl-pentyl)purin-6-yl]amine Formula: C24H24BrN5O2S MolecularWeight: 526.44866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C4C(=C3)OCO4)Br)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C(CN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C4C(=C3)OCO4)Br)C5=CC=CC=C5

InChI

InChI=1S/C24H24BrN5O2S/c1-3-14(2)16(15-7-5-4-6-8-15)11-30-23-21(22(26)27-12-28-23)29-24(30)33-20-10-19-18(9-17(20)25)31-13-32-19/h4-10,12,14,16H,3,11,13H2,1-2H3,(H2,26,27,28)