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

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

InChI

InChI=1S/C20H26N6O4/c1-24(16-9-5-4-8-15(16)20(27)30-2)19-17(26(28)29)18(22-14-23-19)21-10-13-25-11-6-3-7-12-25/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,21,22,23)