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

Systemtic Name: dimethyl 5-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O6/c1-5-6-7-23(2)17-15(24(27)28)16(20-11-21-17)22-14-9-12(18(25)29-3)8-13(10-14)19(26)30-4/h8-11H,5-7H2,1-4H3,(H,20,21,22)