3,7-dimethyl-1-[3-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]propyl]purine-2,6-dione Openeye Name: 1-[3-[[2-hydroxy-3-(1-naphthyloxy)propyl]amino]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[2-hydroxy-3-(1-naphthoxy)propyl]amino]propyl]-3,7-dimethyl-xanthine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCNCC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCNCC(COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C23H27N5O4/c1-26-15-25-21-20(26)22(30)28(23(31)27(21)2)12-6-11-24-13-17(29)14-32-19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,15,17,24,29H,6,11-14H2,1-2H3