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

Systemtic Name: 1,7-dimethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1,7-dimethyl-purine-2,6-dione CAS Name: 1,7-dimethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1,7-dimethylpurine-2,6-dione Traditional Name: 3-benzyl-1,7-dimethyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C14H14N4O2/c1-16-9-15-12-11(16)13(19)17(2)14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3