3-(4-chlorophenyl)-7-[(4-nitrophenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-(4-chlorophenyl)-7-[(4-nitrophenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-(4-chlorophenyl)-7-[(4-nitrophenyl)methyl]-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(4-chlorophenyl)-7-[(4-nitrophenyl)methyl]-1-(2-oxolanylmethyl)purine-2,6-dione IUPAC Name: 3-(4-chlorophenyl)-7-[(4-nitrophenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-(4-chlorophenyl)-7-(4-nitrobenzyl)-1-(tetrahydrofurfuryl)xanthine Formula: C23H20ClN5O5 MolecularWeight: 481.8884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N(C2=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N(C2=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H20ClN5O5/c24-16-5-9-17(10-6-16)28-21-20(22(30)27(23(28)31)13-19-2-1-11-34-19)26(14-25-21)12-15-3-7-18(8-4-15)29(32)33/h3-10,14,19H,1-2,11-13H2