8-(4-chloranylphenoxy)-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-(4-chloranylphenoxy)-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-phenethyl-xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O3/c1-24-18-17(19(27)25(2)21(24)28)26(13-12-14-6-4-3-5-7-14)20(23-18)29-16-10-8-15(22)9-11-16/h3-11H,12-13H2,1-2H3