8-chloranyl-3-methyl-7-[3-(4-morpholin-4-ylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-3-methyl-7-[3-(4-morpholin-4-ylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-chloro-7-[2-hydroxy-3-(4-morpholinophenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-hydroxy-3-[4-(4-morpholinyl)phenoxy]propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-hydroxy-3-(4-morpholin-4-ylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-hydroxy-3-(4-morpholinophenoxy)propyl]-3-methyl-xanthine Formula: C19H22ClN5O5 MolecularWeight: 435.86148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Cl)CC(COC3=CC=C(C=C3)N4CCOCC4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Cl)CC(COC3=CC=C(C=C3)N4CCOCC4)O

InChI

InChI=1S/C19H22ClN5O5/c1-23-16-15(17(27)22-19(23)28)25(18(20)21-16)10-13(26)11-30-14-4-2-12(3-5-14)24-6-8-29-9-7-24/h2-5,13,26H,6-11H2,1H3,(H,22,27,28)