N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-9-[(5-methylfuran-2-yl)methyl]purin-8-amine

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-9-[(5-methylfuran-2-yl)methyl]purin-8-amine Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]-9-[(5-methyl-2-furyl)methyl]purin-8-amine CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinyl]-9-[(5-methyl-2-furanyl)methyl]-8-purinamine IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-9-[(5-methylfuran-2-yl)methyl]purin-8-amine Traditional Name: [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]-[9-[(5-methyl-2-furyl)methyl]purin-8-yl]amine Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C3=NC=NC=C3N=C2NC4CCN(CC4)CC5COC6=CC=CC=C6O5

Isomeric SMILES

CC1=CC=C(O1)CN2C3=NC=NC=C3N=C2NC4CCN(CC4)CC5COC6=CC=CC=C6O5

InChI

InChI=1S/C25H28N6O3/c1-17-6-7-19(33-17)14-31-24-21(12-26-16-27-24)29-25(31)28-18-8-10-30(11-9-18)13-20-15-32-22-4-2-3-5-23(22)34-20/h2-7,12,16,18,20H,8-11,13-15H2,1H3,(H,28,29)