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

Systemtic Name: 4-[6-[4-(4-fluorophenyl)piperidin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl]oxybutan-1-ol Openeye Name: 4-[6-[4-(4-fluorophenyl)-1-piperidyl]-2-methyl-5-nitro-pyrimidin-4-yl]oxybutan-1-ol CAS Name: 4-[[6-[4-(4-fluorophenyl)-1-piperidinyl]-2-methyl-5-nitro-4-pyrimidinyl]oxy]-1-butanol IUPAC Name: 4-[6-[4-(4-fluorophenyl)piperidin-1-yl]-2-methyl-5-nitropyrimidin-4-yl]oxybutan-1-ol Traditional Name: 4-[6-[4-(4-fluorophenyl)piperidino]-2-methyl-5-nitro-pyrimidin-4-yl]oxybutan-1-ol Formula: C20H25FN4O4 MolecularWeight: 404.435303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCCCO)[N+](=O)[O-])N2CCC(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCCCO)[N+](=O)[O-])N2CCC(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O4/c1-14-22-19(18(25(27)28)20(23-14)29-13-3-2-12-26)24-10-8-16(9-11-24)15-4-6-17(21)7-5-15/h4-7,16,26H,2-3,8-13H2,1H3