1,3-dimethyl-7-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-(1-naphthylmethyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-(1-naphthalenylmethyl)-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[4-(1-naphthylmethyl)piperazino]propyl]-1,3-dimethyl-xanthine Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C25H30N6O3/c1-27-23-22(24(33)28(2)25(27)34)31(17-26-23)16-20(32)15-30-12-10-29(11-13-30)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,17,20,32H,10-16H2,1-2H3