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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(dimethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(dimethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(dimethylamino)-3-methyl-xanthine Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4/c1-21(2)16-19-14-13(15(25)20-17(26)22(14)3)23(16)8-11(24)9-27-12-6-4-10(18)5-7-12/h4-7,11,24H,8-9H2,1-3H3,(H,20,25,26)