N-(2-fluorophenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(2-fluorophenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-fluorophenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN6O2/c22-17-8-4-5-9-18(17)25-20-19(28(29)30)21(24-15-23-20)27-12-10-26(11-13-27)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,23,24,25)