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

Systemtic Name: 3,7-dimethyl-1-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]purine-2,6-dione Openeye Name: 1-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-3,7-dimethyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCNCC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C19H25N5O4/c1-22-13-21-17-16(22)18(26)24(19(27)23(17)2)10-6-9-20-11-14(25)12-28-15-7-4-3-5-8-15/h3-5,7-8,13-14,20,25H,6,9-12H2,1-2H3