1-(2,3-diethylphenyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(2,3-diethylphenyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(2,3-diethylphenyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(2,3-diethylphenyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(2,3-diethylphenyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(2,3-diethylphenyl)-7H-xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)N2C(=O)C3=C(NC2=O)N=CN3)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)N2C(=O)C3=C(NC2=O)N=CN3)CC

InChI

InChI=1S/C15H16N4O2/c1-3-9-6-5-7-11(10(9)4-2)19-14(20)12-13(17-8-16-12)18-15(19)21/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,21)