8-bromanyl-3-methyl-7-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-(4-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-(4-nitrophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[2-(4-nitrophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-2-(4-nitrophenyl)ethyl]-3-methyl-xanthine Formula: C14H10BrN5O5 MolecularWeight: 408.1637

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrN5O5/c1-18-11-10(12(22)17-14(18)23)19(13(15)16-11)6-9(21)7-2-4-8(5-3-7)20(24)25/h2-5H,6H2,1H3,(H,17,22,23)