5-bromanyl-N-[(2S)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-[(2S)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-[(2S)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[(2S)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-[(2S)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-[(2S)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H31BrN4OS MolecularWeight: 479.47674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=NC(=NC=C1Br)SC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN(CC)[C@H](CNC(=O)C1=NC(=NC=C1Br)SC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31BrN4OS/c1-7-27(8-2)18(15-9-11-16(12-10-15)22(3,4)5)14-24-20(28)19-17(23)13-25-21(26-19)29-6/h9-13,18H,7-8,14H2,1-6H3,(H,24,28)/t18-/m1/s1