7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[[(2R)-oxolan-2-yl]methoxy]purine-2,6-dione

Systemtic Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[[(2R)-oxolan-2-yl]methoxy]purine-2,6-dione Openeye Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[[(2R)-tetrahydrofuran-2-yl]methoxy]purine-2,6-dione CAS Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[[(2R)-2-oxolanyl]methoxy]purine-2,6-dione IUPAC Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[[(2R)-oxolan-2-yl]methoxy]purine-2,6-dione Traditional Name: 7-m-anisyl-1,3-dimethyl-8-[[(2R)-tetrahydrofuran-2-yl]methoxy]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)OCC3CCCO3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC[C@H]3CCCO3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C20H24N4O5/c1-22-17-16(18(25)23(2)20(22)26)24(11-13-6-4-7-14(10-13)27-3)19(21-17)29-12-15-8-5-9-28-15/h4,6-7,10,15H,5,8-9,11-12H2,1-3H3/t15-/m1/s1