2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H21N5OS MolecularWeight: 391.48934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H21N5OS/c1-21(2,3)14-10-8-13(9-11-14)19-25-26-20(27-19)28-12-17-23-16-7-5-4-6-15(16)18(22)24-17/h4-11H,12H2,1-3H3,(H2,22,23,24)