1,3-dimethyl-7-(2-oxidanyl-3-phenylmethoxy-propyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-3-phenylmethoxy-propyl)purine-2,6-dione Openeye Name: 7-(3-benzyloxy-2-hydroxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenylmethoxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenylmethoxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-benzoxy-2-hydroxy-propyl)-1,3-dimethyl-xanthine Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=CC=C3)O

InChI

InChI=1S/C17H20N4O4/c1-19-15-14(16(23)20(2)17(19)24)21(11-18-15)8-13(22)10-25-9-12-6-4-3-5-7-12/h3-7,11,13,22H,8-10H2,1-2H3