7-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC3=C(C=C(C=C3)CC=C)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](COC3=C(C=C(C=C3)CC=C)OC)O

InChI

InChI=1S/C20H24N4O5/c1-5-6-13-7-8-15(16(9-13)28-4)29-11-14(25)10-24-12-21-18-17(24)19(26)23(3)20(27)22(18)2/h5,7-9,12,14,25H,1,6,10-11H2,2-4H3/t14-/m1/s1