8-bromanyl-3,7-dimethyl-1-phenethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-phenethyl-purine-2,6-dione Openeye Name: 8-bromo-3,7-dimethyl-1-phenethyl-purine-2,6-dione CAS Name: 8-bromo-3,7-dimethyl-1-phenethylpurine-2,6-dione IUPAC Name: 8-bromo-3,7-dimethyl-1-phenethylpurine-2,6-dione Traditional Name: 8-bromo-3,7-dimethyl-1-phenethyl-xanthine Formula: C15H15BrN4O2 MolecularWeight: 363.2092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C15H15BrN4O2/c1-18-11-12(17-14(18)16)19(2)15(22)20(13(11)21)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3