5-(tert-butyliminomethyl)-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidin-4-amine

Systemtic Name: 5-(tert-butyliminomethyl)-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidin-4-amine Openeye Name: 5-(tert-butyliminomethyl)-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidin-4-amine CAS Name: 5-(tert-butyliminomethyl)-2-(methylthio)-6-(2-phenylethynyl)-4-pyrimidinamine IUPAC Name: 5-(tert-butyliminomethyl)-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidin-4-amine Traditional Name: [5-(tert-butyliminomethyl)-2-(methylthio)-6-(2-phenylethynyl)pyrimidin-4-yl]amine Formula: C18H20N4S MolecularWeight: 324.4432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=CC1=C(N=C(N=C1N)SC)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N=CC1=C(N=C(N=C1N)SC)C#CC2=CC=CC=C2

InChI

InChI=1S/C18H20N4S/c1-18(2,3)20-12-14-15(21-17(23-4)22-16(14)19)11-10-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H2,19,21,22)