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

Systemtic Name: 8-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]-7-methyl-purine-2,6-dione CAS Name: 8-[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]-7-methyl-xanthine Formula: C24H19N5O6 MolecularWeight: 473.43756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H19N5O6/c1-27-20-22(28(24(31)26-23(20)30)13-14-6-4-3-5-7-14)25-21(27)19-11-10-18(35-19)16-9-8-15(34-2)12-17(16)29(32)33/h3-12H,13H2,1-2H3,(H,26,30,31)