N-(4-butoxyphenyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-5-(4-fluorophenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H20FN3OS MolecularWeight: 393.477103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3OS/c1-2-3-12-27-18-10-8-17(9-11-18)26-21-20-19(13-28-22(20)25-14-24-21)15-4-6-16(23)7-5-15/h4-11,13-14H,2-3,12H2,1H3,(H,24,25,26)