3-methyl-8-morpholin-4-yl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-morpholino-xanthine Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C19H23N5O5/c1-22-16-15(17(26)21-19(22)27)24(18(20-16)23-7-9-28-10-8-23)11-13(25)12-29-14-5-3-2-4-6-14/h2-6,13,25H,7-12H2,1H3,(H,21,26,27)/t13-/m0/s1