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

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-N-(2-pyridin-4-ylethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-[2-(4-pyridyl)ethyl]amine Formula: C21H22FN7O2 MolecularWeight: 423.443483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCCC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCCC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN7O2/c22-17-3-1-2-4-18(17)27-11-13-28(14-12-27)21-19(29(30)31)20(25-15-26-21)24-10-7-16-5-8-23-9-6-16/h1-6,8-9,15H,7,10-14H2,(H,24,25,26)