4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H17N5O5/c22-16(23)10-3-5-11(6-4-10)20-15-13(21(24)25)14(18-9-19-15)17-8-12-2-1-7-26-12/h3-6,9,12H,1-2,7-8H2,(H,22,23)(H2,17,18,19,20)