dimethyl 5-[[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21N7O6 MolecularWeight: 455.42404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N7O6/c1-32-19(28)13-8-14(20(29)33-2)10-15(9-13)25-18-16(27(30)31)17(23-11-24-18)22-4-3-6-26-7-5-21-12-26/h5,7-12H,3-4,6H2,1-2H3,(H2,22,23,24,25)