2-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-pyridin-2-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 2-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-pyridin-2-ylsulfanyl-benzenecarbonitrile Openeye Name: 2-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(2-pyridylsulfanyl)benzonitrile CAS Name: 2-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]phenoxy]-6-(2-pyridinylthio)benzonitrile IUPAC Name: 2-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-pyridin-2-ylsulfanylbenzonitrile Traditional Name: 2-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(2-pyridylthio)benzonitrile Formula: C35H36N8OS MolecularWeight: 616.77834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=C(C(=CC=C6)SC7=CC=CC=N7)C#N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=C(C(=CC=C6)SC7=CC=CC=N7)C#N

InChI

InChI=1S/C35H36N8OS/c1-41-17-19-42(20-18-41)25-10-12-26(13-11-25)43-22-29(33-34(37)39-23-40-35(33)43)24-8-14-27(15-9-24)44-30-5-4-6-31(28(30)21-36)45-32-7-2-3-16-38-32/h2-9,14-16,22-23,25-26H,10-13,17-20H2,1H3,(H2,37,39,40)