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

Systemtic Name: 1,7-dimethyl-3-(phenylmethyl)-9H-purine-2,6,8-trione Openeye Name: 3-benzyl-1,7-dimethyl-9H-purine-2,6,8-trione CAS Name: 1,7-dimethyl-3-(phenylmethyl)-9H-purine-2,6,8-trione IUPAC Name: 3-benzyl-1,7-dimethyl-9H-purine-2,6,8-trione Traditional Name: 3-benzyl-1,7-dimethyl-9H-purine-2,6,8-trione Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O3/c1-16-10-11(15-13(16)20)18(14(21)17(2)12(10)19)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,20)