8-(3-methoxypropylamino)-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-phenylethyl)-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-8-(3-methoxypropylamino)-1,3-dimethyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC(C3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C19H25N5O4/c1-22-16-15(17(26)23(2)19(22)27)24(18(21-16)20-10-7-11-28-3)12-14(25)13-8-5-4-6-9-13/h4-6,8-9,14,25H,7,10-12H2,1-3H3,(H,20,21)