7-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C17H19ClN4O4 MolecularWeight: 378.81016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@@H](COCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H19ClN4O4/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)7-13(23)9-26-8-11-3-5-12(18)6-4-11/h3-6,10,13,23H,7-9H2,1-2H3/t13-/m0/s1