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

Systemtic Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-[(2S)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(2-morpholinoethylamino)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-[2-(4-morpholinyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Traditional Name: 7-[(2S)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(2-morpholinoethylamino)xanthine Formula: C18H28N6O5 MolecularWeight: 408.45212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)C[C@@H](COCC=C)O

InChI

InChI=1S/C18H28N6O5/c1-3-8-29-12-13(25)11-24-14-15(22(2)18(27)21-16(14)26)20-17(24)19-4-5-23-6-9-28-10-7-23/h3,13,25H,1,4-12H2,2H3,(H,19,20)(H,21,26,27)/t13-/m0/s1