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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c1-11-6-5-7-12(2)14(11)24-9-8-21-10-18-15-13(21)16(22)20(4)17(23)19(15)3/h5-7,10H,8-9H2,1-4H3