2-methylpropyl 4-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4/c1-4-18-7-5-6-12-26(18)21-19(27(29)30)20(23-14-24-21)25-17-10-8-16(9-11-17)22(28)31-13-15(2)3/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,23,24,25)