N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H22ClFN6O4 MolecularWeight: 488.899283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F)Cl)OC

InChI

InChI=1S/C22H22ClFN6O4/c1-33-18-12-19(34-2)17(11-16(18)23)27-21-20(30(31)32)22(26-13-25-21)29-9-7-28(8-10-29)15-5-3-14(24)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,25,26,27)