3-[(4-nitrophenyl)methyl]-2-oxidanyl-1-(oxolan-2-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one

Systemtic Name: 3-[(4-nitrophenyl)methyl]-2-oxidanyl-1-(oxolan-2-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one Openeye Name: 2-hydroxy-3-[(4-nitrophenyl)methyl]-1-(tetrahydrofuran-2-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one CAS Name: 2-hydroxy-3-[(4-nitrophenyl)methyl]-1-(2-oxolanylmethyl)-4-pyrimido[1,2-a]benzimidazolone IUPAC Name: 2-hydroxy-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one Traditional Name: 2-hydroxy-3-(4-nitrobenzyl)-1-(tetrahydrofurfuryl)pyrimido[1,2-a]benzimidazol-4-one Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C(C(=O)N3C2=NC4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

C1CC(OC1)CN2C(=C(C(=O)N3C2=NC4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C22H20N4O5/c27-20-17(12-14-7-9-15(10-8-14)26(29)30)21(28)25-19-6-2-1-5-18(19)23-22(25)24(20)13-16-4-3-11-31-16/h1-2,5-10,16,27H,3-4,11-13H2