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

Systemtic Name: 7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C17H20N4O3/c1-11-7-12(2)9-13(8-11)24-6-5-21-10-18-15-14(21)16(22)20(4)17(23)19(15)3/h7-10H,5-6H2,1-4H3