ethyl 4-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-4-29-20(26)24-11-9-23(10-12-24)18-17(25(27)28)19(22-13-21-18)30-16-7-5-15(6-8-16)14(2)3/h5-8,13-14H,4,9-12H2,1-3H3