7-(3-chloranylpropyl)-1,3-dimethyl-8-[oxidanyl(phenyl)methyl]purine-2,6-dione

Systemtic Name: 7-(3-chloranylpropyl)-1,3-dimethyl-8-[oxidanyl(phenyl)methyl]purine-2,6-dione Openeye Name: 7-(3-chloropropyl)-8-[hydroxy(phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-chloropropyl)-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-chloropropyl)-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chloropropyl)-8-[hydroxy(phenyl)methyl]-1,3-dimethyl-xanthine Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)O)CCCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)O)CCCCl

InChI

InChI=1S/C17H19ClN4O3/c1-20-14-12(16(24)21(2)17(20)25)22(10-6-9-18)15(19-14)13(23)11-7-4-3-5-8-11/h3-5,7-8,13,23H,6,9-10H2,1-2H3