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

Systemtic Name: 8-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]-3-butyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-3-butyl-7-isopentyl-purine-2,6-dione CAS Name: 8-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-3-butyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-3-butyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-3-butyl-7-isoamyl-xanthine Formula: C24H26BrN5O5 MolecularWeight: 544.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCC(C)C

InChI

InChI=1S/C24H26BrN5O5/c1-4-5-11-29-22-20(23(31)27-24(29)32)28(12-10-14(2)3)21(26-22)19-9-8-18(35-19)16-7-6-15(30(33)34)13-17(16)25/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,27,31,32)