8-bromanyl-1,3-dimethyl-9-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[2-(3-nitrophenoxy)ethyl]xanthine Formula: C15H14BrN5O5 MolecularWeight: 424.20616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCOC3=CC=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCOC3=CC=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H14BrN5O5/c1-18-12-11(13(22)19(2)15(18)23)17-14(16)20(12)6-7-26-10-5-3-4-9(8-10)21(24)25/h3-5,8H,6-7H2,1-2H3