8-(2-hydroxyethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(2-hydroxyethylamino)-3-methyl-xanthine Formula: C14H21N5O5 MolecularWeight: 339.34704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O5/c1-3-6-24-8-9(21)7-19-10-11(16-13(19)15-4-5-20)18(2)14(23)17-12(10)22/h3,9,20-21H,1,4-8H2,2H3,(H,15,16)(H,17,22,23)/t9-/m1/s1