1-(phenylmethyl)-7,9-dihydro-3H-purine-2,6,8-trione

Systemtic Name: 1-(phenylmethyl)-7,9-dihydro-3H-purine-2,6,8-trione Openeye Name: 1-benzyl-7,9-dihydro-3H-purine-2,6,8-trione CAS Name: 1-(phenylmethyl)-7,9-dihydro-3H-purine-2,6,8-trione IUPAC Name: 1-benzyl-7,9-dihydro-3H-purine-2,6,8-trione Traditional Name: 1-benzyluric acid Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(NC(=O)N3)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(NC(=O)N3)NC2=O

InChI

InChI=1S/C12H10N4O3/c17-10-8-9(14-11(18)13-8)15-12(19)16(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,19)(H2,13,14,18)