8-bromanyl-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-phenethyl-xanthine Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C14H13BrN4O2/c1-18-11-10(12(20)17-14(18)21)19(13(15)16-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,20,21)