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

Systemtic Name: 1-(3-hydroxyphenyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(3-hydroxyphenyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(3-hydroxyphenyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(3-hydroxyphenyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-hydroxyphenyl)-3,7-dimethyl-xanthine Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)C3=CC(=CC=C3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C3=CC(=CC=C3)O

InChI

InChI=1S/C13H12N4O3/c1-15-7-14-11-10(15)12(19)17(13(20)16(11)2)8-4-3-5-9(18)6-8/h3-7,18H,1-2H3