2-[2-(4-tert-butylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[2-(4-tert-butylphenoxy)ethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[2-(4-tert-butylphenoxy)ethylthio]pyrimidin-4-yl]amine Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H22N4OS/c1-16(2,3)11-4-6-12(7-5-11)21-8-9-22-15-19-13(17)10-14(18)20-15/h4-7,10H,8-9H2,1-3H3,(H4,17,18,19,20)