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

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-N-(3-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN6O2/c1-15-3-2-4-17(13-15)25-20-19(28(29)30)21(24-14-23-20)27-11-9-26(10-12-27)18-7-5-16(22)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)