2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-purine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-purine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-purine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-methylpurine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methylpurine Traditional Name: 9-methyl-2-(4-piperonylpiperazino)purine Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=CN=C(N=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=NC2=CN=C(N=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H20N6O2/c1-22-11-20-14-9-19-18(21-17(14)22)24-6-4-23(5-7-24)10-13-2-3-15-16(8-13)26-12-25-15/h2-3,8-9,11H,4-7,10,12H2,1H3