N-[(3-fluorophenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[(3-fluorophenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3-fluorobenzyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H20FN7O2 MolecularWeight: 409.416903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=CC=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN7O2/c21-16-5-3-4-15(12-16)13-23-19-18(28(29)30)20(25-14-24-19)27-10-8-26(9-11-27)17-6-1-2-7-22-17/h1-7,12,14H,8-11,13H2,(H,23,24,25)