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

Systemtic Name: 8-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-3-[2-(1-propylpiperidin-2-yl)ethyl]purin-6-amine Openeye Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-3-[2-(1-propyl-2-piperidyl)ethyl]purin-6-amine CAS Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thio]-3-[2-(1-propyl-2-piperidinyl)ethyl]-6-purinamine IUPAC Name: 8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]-3-[2-(1-propylpiperidin-2-yl)ethyl]purin-6-amine Traditional Name: [8-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thio]-3-[2-(1-propyl-2-piperidyl)ethyl]purin-6-yl]amine Formula: C23H29BrN6O2S MolecularWeight: 533.48436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCCC1CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=C5C(=C4)OCCO5)Br)N

Isomeric SMILES

CCCN1CCCCC1CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=C5C(=C4)OCCO5)Br)N

InChI

InChI=1S/C23H29BrN6O2S/c1-2-7-29-8-4-3-5-15(29)6-9-30-14-26-21(25)20-22(30)28-23(27-20)33-19-13-18-17(12-16(19)24)31-10-11-32-18/h12-15H,2-11,25H2,1H3