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

Systemtic Name: 4-cyclohexyl-5-[2-[[3-(3-imidazol-1-ylpropoxy)phenyl]amino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile Openeye Name: 4-cyclohexyl-5-[2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 4-cyclohexyl-5-[2-[3-[3-(1-imidazolyl)propoxy]anilino]-4-pyrimidinyl]-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 4-cyclohexyl-5-[2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 4-cyclohexyl-5-[2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]-2-(methylthio)thiophene-3-carbonitrile Formula: C28H30N6OS2 MolecularWeight: 530.7074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCCCN4C=CN=C4)C5CCCCC5)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCCCN4C=CN=C4)C5CCCCC5)C#N

InChI

InChI=1S/C28H30N6OS2/c1-36-27-23(18-29)25(20-7-3-2-4-8-20)26(37-27)24-11-12-31-28(33-24)32-21-9-5-10-22(17-21)35-16-6-14-34-15-13-30-19-34/h5,9-13,15,17,19-20H,2-4,6-8,14,16H2,1H3,(H,31,32,33)