1-ethyl-8-phenyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-ethyl-8-phenyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-ethyl-8-phenyl-3,7-dihydropurine-2,6-dione CAS Name: 1-ethyl-8-phenyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-ethyl-8-phenyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-ethyl-8-phenyl-7H-xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2/c1-2-17-12(18)9-11(16-13(17)19)15-10(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)(H,16,19)