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

Systemtic Name: 8-chloranyl-7-[3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C17H18Cl2N4O4 MolecularWeight: 413.25522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N4O4/c1-21-14-13(15(25)22(2)17(21)26)23(16(19)20-14)7-12(24)9-27-8-10-3-5-11(18)6-4-10/h3-6,12,24H,7-9H2,1-2H3