N4-(3-chloranyl-4-fluoranyl-phenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C18H16ClFN4O MolecularWeight: 358.797243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C18H16ClFN4O/c1-10-5-11(2)7-13(6-10)25-18-16(21)17(22-9-23-18)24-12-3-4-15(20)14(19)8-12/h3-9H,21H2,1-2H3,(H,22,23,24)