4-(2-ethylpiperidin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(2-ethyl-1-piperidyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(2-ethylpiperidin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(2-ethylpiperidino)-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C21H27FN6O2 MolecularWeight: 414.476483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H27FN6O2/c1-2-16-7-5-6-10-27(16)21-19(28(29)30)20(23-15-24-21)26-13-11-25(12-14-26)18-9-4-3-8-17(18)22/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3