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

Systemtic Name: 2-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]-6-pyridin-2-ylsulfanyl-benzenecarbonitrile Openeye Name: 2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]-6-(2-pyridylsulfanyl)benzonitrile CAS Name: 2-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]phenoxy]-6-(2-pyridinylthio)benzonitrile IUPAC Name: 2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]-6-pyridin-2-ylsulfanylbenzonitrile Traditional Name: 2-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]-6-(2-pyridylthio)benzonitrile Formula: C34H35N9OS MolecularWeight: 617.7664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=C(C(=CC=C6)SC7=CC=CC=N7)C#N)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=C(C(=CC=C6)SC7=CC=CC=N7)C#N)C(=NC=N4)N

InChI

InChI=1S/C34H35N9OS/c1-41-17-19-42(20-18-41)24-10-12-25(13-11-24)43-34-31(33(36)38-22-39-34)32(40-43)23-8-14-26(15-9-23)44-28-5-4-6-29(27(28)21-35)45-30-7-2-3-16-37-30/h2-9,14-16,22,24-25H,10-13,17-20H2,1H3,(H2,36,38,39)