methyl 6-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate

Systemtic Name: methyl 6-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate Openeye Name: methyl 6-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]hexanoic acid methyl ester Formula: C21H27FN6O4 MolecularWeight: 446.475283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H27FN6O4/c1-32-18(29)9-3-2-6-10-23-20-19(28(30)31)21(25-15-24-20)27-13-11-26(12-14-27)17-8-5-4-7-16(17)22/h4-5,7-8,15H,2-3,6,9-14H2,1H3,(H,23,24,25)