8-(dimethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C17H21N5O4/c1-20(2)16-18-14-13(15(24)19-17(25)21(14)3)22(16)9-11(23)10-26-12-7-5-4-6-8-12/h4-8,11,23H,9-10H2,1-3H3,(H,19,24,25)/t11-/m1/s1