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

Systemtic Name: 2-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(3-methoxypropylamino)benzenecarbonitrile Openeye Name: 2-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(3-methoxypropylamino)benzonitrile CAS Name: 2-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]phenoxy]-6-(3-methoxypropylamino)benzonitrile IUPAC Name: 2-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(3-methoxypropylamino)benzonitrile Traditional Name: 2-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(3-methoxypropylamino)benzonitrile Formula: C34H42N8O2 MolecularWeight: 594.74968

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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=CC=CC(=C6C#N)NCCCOC

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC(=C6C#N)NCCCOC

InChI

InChI=1S/C34H42N8O2/c1-40-16-18-41(19-17-40)25-9-11-26(12-10-25)42-22-29(32-33(36)38-23-39-34(32)42)24-7-13-27(14-8-24)44-31-6-3-5-30(28(31)21-35)37-15-4-20-43-2/h3,5-8,13-14,22-23,25-26,37H,4,9-12,15-20H2,1-2H3,(H2,36,38,39)