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

Systemtic Name: 2-[4-[4-[(4-fluorophenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[4-(4-fluoroanilino)-6-methyl-5-nitro-pyrimidin-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[4-(4-fluoroanilino)-6-methyl-5-nitro-2-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[4-(4-fluoroanilino)-6-methyl-5-nitropyrimidin-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[4-(4-fluoroanilino)-6-methyl-5-nitro-pyrimidin-2-yl]piperazino]ethanol Formula: C17H21FN6O3 MolecularWeight: 376.385443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCN(CC2)CCO)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCN(CC2)CCO)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H21FN6O3/c1-12-15(24(26)27)16(20-14-4-2-13(18)3-5-14)21-17(19-12)23-8-6-22(7-9-23)10-11-25/h2-5,25H,6-11H2,1H3,(H,19,20,21)