1,3-dimethyl-7-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@@H](CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C19H24N4O4/c1-12(2)14-7-5-6-8-15(14)27-10-13(24)9-23-11-20-17-16(23)18(25)22(4)19(26)21(17)3/h5-8,11-13,24H,9-10H2,1-4H3/t13-/m1/s1