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

Systemtic Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-9-(2-methoxyphenyl)purine Openeye Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-9-(2-methoxyphenyl)purine CAS Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)-1-piperazinyl]-9-(2-methoxyphenyl)purine IUPAC Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-9-(2-methoxyphenyl)purine Traditional Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazino]-9-(2-methoxyphenyl)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(COO6)C=C5

Isomeric SMILES

COC1=CC=CC=C1N2C=NC3=C2N=CN=C3N4CCN(CC4)CC5=CC6=C(COO6)C=C5

InChI

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