1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-phenoxyethyl)xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O3/c1-17-13-12(14(20)18(2)15(17)21)19(10-16-13)8-9-22-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3