1-[4-[(4-fluorophenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[(4-fluorophenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-(4-fluoroanilino)-6-methyl-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-(4-fluoroanilino)-6-methyl-5-nitro-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(4-fluoroanilino)-6-methyl-5-nitropyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-(4-fluoroanilino)-6-methyl-5-nitro-pyrimidin-2-yl]isonipecotamide Formula: C17H19FN6O3 MolecularWeight: 374.369563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCC(CC2)C(=O)N)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCC(CC2)C(=O)N)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19FN6O3/c1-10-14(24(26)27)16(21-13-4-2-12(18)3-5-13)22-17(20-10)23-8-6-11(7-9-23)15(19)25/h2-5,11H,6-9H2,1H3,(H2,19,25)(H,20,21,22)