N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H16ClFN4O3 MolecularWeight: 402.806743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H16ClFN4O3/c1-11(2)12-3-6-14(7-4-12)28-19-17(25(26)27)18(22-10-23-19)24-13-5-8-16(21)15(20)9-13/h3-11H,1-2H3,(H,22,23,24)