8-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-3-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]purin-6-amine

Systemtic Name: 8-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-3-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]purin-6-amine Openeye Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-3-[2-(1-methylsulfonyl-3-piperidyl)ethyl]purin-6-amine CAS Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thio]-3-[2-(1-methylsulfonyl-3-piperidinyl)ethyl]-6-purinamine IUPAC Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-3-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]purin-6-amine Traditional Name: [8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thio]-3-[2-(1-mesyl-3-piperidyl)ethyl]purin-6-yl]amine Formula: C21H25BrN6O4S2 MolecularWeight: 569.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=C5C(=C4)OCCO5)Br)N

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=C5C(=C4)OCCO5)Br)N

InChI

InChI=1S/C21H25BrN6O4S2/c1-34(29,30)28-5-2-3-13(11-28)4-6-27-12-24-19(23)18-20(27)26-21(25-18)33-17-10-16-15(9-14(17)22)31-7-8-32-16/h9-10,12-13H,2-8,11,23H2,1H3