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

Systemtic Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(2-morpholinoethylamino)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-[2-(4-morpholinyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(2-morpholinoethylamino)xanthine Formula: C21H28N6O5 MolecularWeight: 444.48422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C21H28N6O5/c1-25-18-17(19(29)24-21(25)30)27(13-15(28)14-32-16-5-3-2-4-6-16)20(23-18)22-7-8-26-9-11-31-12-10-26/h2-6,15,28H,7-14H2,1H3,(H,22,23)(H,24,29,30)/t15-/m0/s1