dimethyl 5-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H21N5O7 MolecularWeight: 431.39934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21N5O7/c1-29-18(25)11-6-12(19(26)30-2)8-13(7-11)23-17-15(24(27)28)16(21-10-22-17)20-9-14-4-3-5-31-14/h6-8,10,14H,3-5,9H2,1-2H3,(H2,20,21,22,23)