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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-bromo-1,3-dimethyl-xanthine Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C14H13BrN4O2/c1-17-11-10(12(20)18(2)14(17)21)19(13(15)16-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3