6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-(2-methoxyphenyl)purine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-(2-methoxyphenyl)purine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-(2-methoxyphenyl)purine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-(2-methoxyphenyl)purine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-(2-methoxyphenyl)purine Traditional Name: 9-(2-methoxyphenyl)-6-(4-piperonylpiperazino)purine Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NC3=C2N=CN=C3N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=CC=C1N2C=NC3=C2N=CN=C3N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H24N6O3/c1-31-19-5-3-2-4-18(19)30-15-27-22-23(25-14-26-24(22)30)29-10-8-28(9-11-29)13-17-6-7-20-21(12-17)33-16-32-20/h2-7,12,14-15H,8-11,13,16H2,1H3