ethyl 1-[5-nitro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[(2,2,6,6-tetramethyl-4-piperidyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-[(2,2,6,6-tetramethyl-4-piperidyl)amino]pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C21H34N6O4 MolecularWeight: 434.53246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3CC(NC(C3)(C)C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3CC(NC(C3)(C)C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H34N6O4/c1-6-31-19(28)14-8-7-9-26(12-14)18-16(27(29)30)17(22-13-23-18)24-15-10-20(2,3)25-21(4,5)11-15/h13-15,25H,6-12H2,1-5H3,(H,22,23,24)