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

Systemtic Name: 8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-(2-cyclopentyl-2-phenyl-ethyl)purin-6-amine Openeye Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-(2-cyclopentyl-2-phenyl-ethyl)purin-6-amine CAS Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-(2-cyclopentyl-2-phenylethyl)-6-purinamine IUPAC Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-(2-cyclopentyl-2-phenylethyl)purin-6-amine Traditional Name: [8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-(2-cyclopentyl-2-phenyl-ethyl)purin-6-yl]amine Formula: C25H24BrN5O2S MolecularWeight: 538.45936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(CN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=C5C(=C4)OCO5)Br)C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)C(CN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=C5C(=C4)OCO5)Br)C6=CC=CC=C6

InChI

InChI=1S/C25H24BrN5O2S/c26-18-10-19-20(33-14-32-19)11-21(18)34-25-30-22-23(27)28-13-29-24(22)31(25)12-17(16-8-4-5-9-16)15-6-2-1-3-7-15/h1-3,6-7,10-11,13,16-17H,4-5,8-9,12,14H2,(H2,27,28,29)