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

Systemtic Name: 4-cyclohexyl-5-[2-[[3-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]amino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile Openeye Name: 4-cyclohexyl-5-[2-[3-[3-(4-ethylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 4-cyclohexyl-5-[2-[3-[3-(4-ethyl-1-piperazinyl)propoxy]anilino]-4-pyrimidinyl]-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 4-cyclohexyl-5-[2-[3-[3-(4-ethylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 4-cyclohexyl-5-[2-[3-[3-(4-ethylpiperazino)propoxy]anilino]pyrimidin-4-yl]-2-(methylthio)thiophene-3-carbonitrile Formula: C31H40N6OS2 MolecularWeight: 576.8189

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCOC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=C(C(=C(S4)SC)C#N)C5CCCCC5

Isomeric SMILES

CCN1CCN(CC1)CCCOC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=C(C(=C(S4)SC)C#N)C5CCCCC5

InChI

InChI=1S/C31H40N6OS2/c1-3-36-16-18-37(19-17-36)15-8-20-38-25-12-7-11-24(21-25)34-31-33-14-13-27(35-31)29-28(23-9-5-4-6-10-23)26(22-32)30(39-2)40-29/h7,11-14,21,23H,3-6,8-10,15-20H2,1-2H3,(H,33,34,35)