4-(4-fluoranyl-3-methyl-phenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-fluoranyl-3-methyl-phenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-fluoro-3-methyl-phenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-fluoro-3-methylphenoxy)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(4-fluoro-3-methylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-fluoro-3-methyl-phenoxy)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C16H18FN5O3 MolecularWeight: 347.344223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C)F

InChI

InChI=1S/C16H18FN5O3/c1-11-9-12(3-4-13(11)17)25-16-14(22(23)24)15(18-10-19-16)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3