N-[(3-fluorophenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (3-fluorobenzyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C16H18FN5O2 MolecularWeight: 331.344823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN5O2/c17-13-6-4-5-12(9-13)10-18-15-14(22(23)24)16(20-11-19-15)21-7-2-1-3-8-21/h4-6,9,11H,1-3,7-8,10H2,(H,18,19,20)