4-cyclohexyl-2-methylsulfanyl-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile

Systemtic Name: 4-cyclohexyl-2-methylsulfanyl-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile Openeye Name: 5-(2-anilinopyrimidin-4-yl)-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 5-(2-anilino-4-pyrimidinyl)-4-cyclohexyl-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-4-cyclohexyl-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 5-(2-anilinopyrimidin-4-yl)-4-cyclohexyl-2-(methylthio)thiophene-3-carbonitrile Formula: C22H22N4S2 MolecularWeight: 406.56688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4CCCCC4)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4CCCCC4)C#N

InChI

InChI=1S/C22H22N4S2/c1-27-21-17(14-23)19(15-8-4-2-5-9-15)20(28-21)18-12-13-24-22(26-18)25-16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3,(H,24,25,26)