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

Systemtic Name: 6-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl]oxyhexan-1-ol Openeye Name: 6-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl]oxyhexan-1-ol CAS Name: 6-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-2-methyl-5-nitro-4-pyrimidinyl]oxy]-1-hexanol IUPAC Name: 6-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitropyrimidin-4-yl]oxyhexan-1-ol Traditional Name: 6-[6-[4-(4-fluorophenyl)piperazino]-2-methyl-5-nitro-pyrimidin-4-yl]oxyhexan-1-ol Formula: C21H28FN5O4 MolecularWeight: 433.476523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCCCCCO)[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCCCCCO)[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN5O4/c1-16-23-20(19(27(29)30)21(24-16)31-15-5-3-2-4-14-28)26-12-10-25(11-13-26)18-8-6-17(22)7-9-18/h6-9,28H,2-5,10-15H2,1H3