1,3-dimethyl-9-[3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-[3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 9-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C=NC3=C2N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2C=NC3=C2N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C17H20N4O4/c1-11-5-4-6-13(7-11)25-9-12(22)8-21-10-18-14-15(21)19(2)17(24)20(3)16(14)23/h4-7,10,12,22H,8-9H2,1-3H3