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

Systemtic Name: N-cycloheptyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cycloheptyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cycloheptyl-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cycloheptyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cycloheptyl-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H27FN6O2 MolecularWeight: 414.476483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H27FN6O2/c22-17-9-5-6-10-18(17)26-11-13-27(14-12-26)21-19(28(29)30)20(23-15-24-21)25-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,23,24,25)