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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=C5C(=C4)OCCO5)Br)N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=C5C(=C4)OCCO5)Br)N

InChI

InChI=1S/C21H25BrN6O4S2/c1-34(29,30)28-6-3-13(4-7-28)2-5-27-12-24-19(23)18-20(27)26-21(25-18)33-17-11-16-15(10-14(17)22)31-8-9-32-16/h10-13H,2-9,23H2,1H3