methyl 1-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-(6-cumidino-5-nitro-pyrimidin-4-yl)isonipecotic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H25N5O4/c1-13(2)14-4-6-16(7-5-14)23-18-17(25(27)28)19(22-12-21-18)24-10-8-15(9-11-24)20(26)29-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,21,22,23)