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

Systemtic Name: 5-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzenecarbonitrile Openeye Name: 5-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzonitrile CAS Name: 5-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-phenoxybenzonitrile IUPAC Name: 5-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxybenzonitrile Traditional Name: 5-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzonitrile Formula: C30H33N7O MolecularWeight: 507.62932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N7O/c1-35-13-15-36(16-14-35)23-8-10-24(11-9-23)37-19-26(28-29(32)33-20-34-30(28)37)21-7-12-27(22(17-21)18-31)38-25-5-3-2-4-6-25/h2-7,12,17,19-20,23-24H,8-11,13-16H2,1H3,(H2,32,33,34)