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

Systemtic Name: 4-cyclohexyl-2-methylsulfanyl-5-[2-[[3-[3-(3-oxidanylpiperidin-1-yl)propoxy]phenyl]amino]pyrimidin-4-yl]thiophene-3-carbonitrile Openeye Name: 4-cyclohexyl-5-[2-[3-[3-(3-hydroxy-1-piperidyl)propoxy]anilino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 4-cyclohexyl-5-[2-[3-[3-(3-hydroxy-1-piperidinyl)propoxy]anilino]-4-pyrimidinyl]-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 4-cyclohexyl-5-[2-[3-[3-(3-hydroxypiperidin-1-yl)propoxy]anilino]pyrimidin-4-yl]-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 4-cyclohexyl-5-[2-[3-[3-(3-hydroxypiperidino)propoxy]anilino]pyrimidin-4-yl]-2-(methylthio)thiophene-3-carbonitrile Formula: C30H37N5O2S2 MolecularWeight: 563.77708

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCCCN4CCCC(C4)O)C5CCCCC5)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCCCN4CCCC(C4)O)C5CCCCC5)C#N

InChI

InChI=1S/C30H37N5O2S2/c1-38-29-25(19-31)27(21-8-3-2-4-9-21)28(39-29)26-13-14-32-30(34-26)33-22-10-5-12-24(18-22)37-17-7-16-35-15-6-11-23(36)20-35/h5,10,12-14,18,21,23,36H,2-4,6-9,11,15-17,20H2,1H3,(H,32,33,34)