1,7-diethyl-8-phenyl-3H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(NC(=O)N(C2=O)CC)N=C1C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(NC(=O)N(C2=O)CC)N=C1C3=CC=CC=C3

InChI

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