N4-[2-[di(propan-2-yl)amino]ethyl]-6-methoxy-N2-methyl-5-methylsulfanyl-N2-phenyl-pyrimidine-2,4-diamine dihydrobromide

Systemtic Name: N4-[2-[di(propan-2-yl)amino]ethyl]-6-methoxy-N2-methyl-5-methylsulfanyl-N2-phenyl-pyrimidine-2,4-diamine dihydrobromide Openeye Name: N4-[2-(diisopropylamino)ethyl]-6-methoxy-N2-methyl-5-methylsulfanyl-N2-phenyl-pyrimidine-2,4-diamine dihydrobromide CAS Name: N4-[2-[di(propan-2-yl)amino]ethyl]-6-methoxy-N2-methyl-5-(methylthio)-N2-phenylpyrimidine-2,4-diamine dihydrobromide IUPAC Name: 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methoxy-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine dihydrobromide Traditional Name: diisopropyl-[2-[[6-methoxy-2-(N-methylanilino)-5-(methylthio)pyrimidin-4-yl]amino]ethyl]amine dihydrobromide Formula: C21H35Br2N5OS MolecularWeight: 565.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)OC)SC)C(C)C.Br.Br

Isomeric SMILES

CC(C)N(CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)OC)SC)C(C)C.Br.Br

InChI

InChI=1S/C21H33N5OS.2BrH/c1-15(2)26(16(3)4)14-13-22-19-18(28-7)20(27-6)24-21(23-19)25(5)17-11-9-8-10-12-17;;/h8-12,15-16H,13-14H2,1-7H3,(H,22,23,24);2*1H