1,7,8-trimethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,7,8-trimethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1,7,8-trimethyl-purine-2,6-dione CAS Name: 1,7,8-trimethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1,7,8-trimethylpurine-2,6-dione Traditional Name: 3-benzyl-1,7,8-trimethyl-xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=CC=CC=C3)C

InChI

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