3-butyl-7-(furan-2-ylmethyl)-8-[5-(4-nitrophenyl)furan-2-yl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-8-[5-(4-nitrophenyl)furan-2-yl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-8-[5-(4-nitrophenyl)-2-furyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-8-[5-(4-nitrophenyl)-2-furanyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-8-[5-(4-nitrophenyl)furan-2-yl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-8-[5-(4-nitrophenyl)-2-furyl]xanthine Formula: C24H21N5O6 MolecularWeight: 475.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CO5

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CO5

InChI

InChI=1S/C24H21N5O6/c1-2-3-12-27-22-20(23(30)26-24(27)31)28(14-17-5-4-13-34-17)21(25-22)19-11-10-18(35-19)15-6-8-16(9-7-15)29(32)33/h4-11,13H,2-3,12,14H2,1H3,(H,26,30,31)