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

Systemtic Name: 7-[(3-nitrophenyl)methyl]-1-(oxolan-2-ylmethyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-[(3-nitrophenyl)methyl]-3-phenyl-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 7-[(3-nitrophenyl)methyl]-1-(2-oxolanylmethyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-[(3-nitrophenyl)methyl]-1-(oxolan-2-ylmethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-(3-nitrobenzyl)-3-phenyl-1-(tetrahydrofurfuryl)xanthine Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O5/c29-22-20-21(24-15-25(20)13-16-6-4-9-18(12-16)28(31)32)27(17-7-2-1-3-8-17)23(30)26(22)14-19-10-5-11-33-19/h1-4,6-9,12,15,19H,5,10-11,13-14H2