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

Systemtic Name: dimethyl 5-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H23N5O6/c1-30-19(26)12-8-13(20(27)31-2)10-15(9-12)24-18-16(25(28)29)17(21-11-22-18)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H2,21,22,23,24)