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

Systemtic Name: 2-methylpropyl 4-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H25N5O4/c1-14(2)12-29-20(26)15-6-8-16(9-7-15)23-18-17(25(27)28)19(22-13-21-18)24-10-4-3-5-11-24/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,22,23)