8-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-9-(2-piperidin-4-ylethyl)purin-6-amine

Systemtic Name: 8-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-9-(2-piperidin-4-ylethyl)purin-6-amine Openeye Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-9-[2-(4-piperidyl)ethyl]purin-6-amine CAS Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thio]-9-[2-(4-piperidinyl)ethyl]-6-purinamine IUPAC Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-9-(2-piperidin-4-ylethyl)purin-6-amine Traditional Name: [8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thio]-9-[2-(4-piperidyl)ethyl]purin-6-yl]amine Formula: C20H23BrN6O2S MolecularWeight: 491.40462

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=C5C(=C4)OCCO5)Br

Isomeric SMILES

C1CNCCC1CCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=C5C(=C4)OCCO5)Br

InChI

InChI=1S/C20H23BrN6O2S/c21-13-9-14-15(29-8-7-28-14)10-16(13)30-20-26-17-18(22)24-11-25-19(17)27(20)6-3-12-1-4-23-5-2-12/h9-12,23H,1-8H2,(H2,22,24,25)