ethyl 4-[[6-[2-(2-chloranylphenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[2-(2-chloranylphenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(2-chlorophenoxy)ethylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H25ClN6O5 MolecularWeight: 464.9027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCOC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCOC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN6O5/c1-2-31-20(28)26-10-7-14(8-11-26)25-19-17(27(29)30)18(23-13-24-19)22-9-12-32-16-6-4-3-5-15(16)21/h3-6,13-14H,2,7-12H2,1H3,(H2,22,23,24,25)