methyl 2-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4/c1-29-19(26)14-7-3-4-8-15(14)23-18-16(25(27)28)17(21-13-22-18)20-9-12-24-10-5-2-6-11-24/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,20,21,22,23)