4-(4-chloranyl-3-methyl-phenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C21H19ClFN5O3 MolecularWeight: 443.858663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F)Cl

InChI

InChI=1S/C21H19ClFN5O3/c1-14-12-15(6-7-16(14)22)31-21-19(28(29)30)20(24-13-25-21)27-10-8-26(9-11-27)18-5-3-2-4-17(18)23/h2-7,12-13H,8-11H2,1H3