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

Systemtic Name: 1-phenyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-phenyl-3,7-dihydropurine-2,6-dione CAS Name: 1-phenyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-phenyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-phenyl-7H-xanthine Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O2/c16-10-8-9(13-6-12-8)14-11(17)15(10)7-4-2-1-3-5-7/h1-6H,(H,12,13)(H,14,17)