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

Systemtic Name: 1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione CAS Name: 1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-butyl-8-phenyl-7H-xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2/c1-2-3-9-19-14(20)11-13(18-15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,16,17)(H,18,21)