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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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