6-(4-ethoxyphenyl)-N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)pyrimidine-2,4-diamine

Systemtic Name: 6-(4-ethoxyphenyl)-N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)pyrimidine-2,4-diamine Openeye Name: 6-(4-ethoxyphenyl)-N4-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(4-ethoxyphenyl)-N4-[3-fluoro-4-(pyridin-4-ylthio)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-ethoxyphenyl)-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine Traditional Name: (2-amino-6-p-phenetyl-pyrimidin-4-yl)-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C23H20FN5OS MolecularWeight: 433.501203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

InChI

InChI=1S/C23H20FN5OS/c1-2-30-17-6-3-15(4-7-17)20-14-22(29-23(25)28-20)27-16-5-8-21(19(24)13-16)31-18-9-11-26-12-10-18/h3-14H,2H2,1H3,(H3,25,27,28,29)