N-tert-butyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[2,1-a]isoquinolin-3-amine

Systemtic Name: N-tert-butyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[2,1-a]isoquinolin-3-amine Openeye Name: N-tert-butyl-2-[5-(2-phenylethynyl)-2-thienyl]imidazo[2,1-a]isoquinolin-3-amine CAS Name: N-tert-butyl-2-[5-(2-phenylethynyl)-2-thiophenyl]-3-imidazo[2,1-a]isoquinolinamine IUPAC Name: N-tert-butyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[2,1-a]isoquinolin-3-amine Traditional Name: tert-butyl-[2-[5-(2-phenylethynyl)-2-thienyl]imidaz[2,1-a]isoquinolin-3-yl]amine Formula: C27H23N3S MolecularWeight: 421.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(N=C2N1C=CC3=CC=CC=C32)C4=CC=C(S4)C#CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)NC1=C(N=C2N1C=CC3=CC=CC=C32)C4=CC=C(S4)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3S/c1-27(2,3)29-26-24(28-25-22-12-8-7-11-20(22)17-18-30(25)26)23-16-15-21(31-23)14-13-19-9-5-4-6-10-19/h4-12,15-18,29H,1-3H3