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

Systemtic Name: dimethyl 5-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)C(=O)OC

InChI

InChI=1S/C19H21N5O6/c1-29-18(25)12-8-13(19(26)30-2)10-14(9-12)22-16-15(24(27)28)17(21-11-20-16)23-6-4-3-5-7-23/h8-11H,3-7H2,1-2H3,(H,20,21,22)