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

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-hydroxyethylamino)-3-methyl-xanthine Formula: C17H20ClN5O5 MolecularWeight: 409.8242

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O5/c1-22-14-13(15(26)21-17(22)27)23(16(20-14)19-6-7-24)8-11(25)9-28-12-4-2-10(18)3-5-12/h2-5,11,24-25H,6-9H2,1H3,(H,19,20)(H,21,26,27)/t11-/m1/s1