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

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-8-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-8-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-8-[5-(4-methoxy-2-nitrophenyl)-2-furanyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-8-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-8-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]xanthine Formula: C23H25N5O7 MolecularWeight: 483.4739

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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)OC)[N+](=O)[O-])CCOC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O7/c1-4-5-10-27-21-19(22(29)25-23(27)30)26(11-12-33-2)20(24-21)18-9-8-17(35-18)15-7-6-14(34-3)13-16(15)28(31)32/h6-9,13H,4-5,10-12H2,1-3H3,(H,25,29,30)