4-cyclohexyl-5-[2-[[3-[3-(4-methylimidazol-1-yl)propoxy]phenyl]amino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile

Systemtic Name: 4-cyclohexyl-5-[2-[[3-[3-(4-methylimidazol-1-yl)propoxy]phenyl]amino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile Openeye Name: 4-cyclohexyl-5-[2-[3-[3-(4-methylimidazol-1-yl)propoxy]anilino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 4-cyclohexyl-5-[2-[3-[3-(4-methyl-1-imidazolyl)propoxy]anilino]-4-pyrimidinyl]-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 4-cyclohexyl-5-[2-[3-[3-(4-methylimidazol-1-yl)propoxy]anilino]pyrimidin-4-yl]-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 4-cyclohexyl-5-[2-[3-[3-(4-methylimidazol-1-yl)propoxy]anilino]pyrimidin-4-yl]-2-(methylthio)thiophene-3-carbonitrile Formula: C29H32N6OS2 MolecularWeight: 544.73398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)CCCOC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=C(C(=C(S4)SC)C#N)C5CCCCC5

Isomeric SMILES

CC1=CN(C=N1)CCCOC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=C(C(=C(S4)SC)C#N)C5CCCCC5

InChI

InChI=1S/C29H32N6OS2/c1-20-18-35(19-32-20)14-7-15-36-23-11-6-10-22(16-23)33-29-31-13-12-25(34-29)27-26(21-8-4-3-5-9-21)24(17-30)28(37-2)38-27/h6,10-13,16,18-19,21H,3-5,7-9,14-15H2,1-2H3,(H,31,33,34)