8-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C22H22BrN5O6 MolecularWeight: 532.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCOC

InChI

InChI=1S/C22H22BrN5O6/c1-12(2)11-27-20-18(21(29)25-22(27)30)26(8-9-33-3)19(24-20)17-7-6-16(34-17)14-5-4-13(28(31)32)10-15(14)23/h4-7,10,12H,8-9,11H2,1-3H3,(H,25,29,30)