8-(2-hydroxyethylamino)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O6/c1-22-15-14(16(26)21-18(22)27)23(17(20-15)19-7-8-24)9-11(25)10-29-13-5-3-12(28-2)4-6-13/h3-6,11,24-25H,7-10H2,1-2H3,(H,19,20)(H,21,26,27)/t11-/m1/s1