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

Systemtic Name: 1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H18N4O3/c1-11-6-4-5-7-12(11)23-9-8-20-10-17-14-13(20)15(21)19(3)16(22)18(14)2/h4-7,10H,8-9H2,1-3H3