8-chloranyl-7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C17H19ClN4O3/c1-10-7-11(2)9-12(8-10)25-6-5-22-13-14(19-16(22)18)20(3)17(24)21(4)15(13)23/h7-9H,5-6H2,1-4H3