2-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-N-phenyl-ethanamide Openeye Name: 2-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-N-phenyl-acetamide CAS Name: 2-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]phenyl]-N-phenylacetamide IUPAC Name: 2-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-N-phenylacetamide Traditional Name: 2-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-N-phenyl-acetamide Formula: C31H37N7O MolecularWeight: 523.67178

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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)CC(=O)NC6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)CC(=O)NC6=CC=CC=C6

InChI

InChI=1S/C31H37N7O/c1-36-15-17-37(18-16-36)25-11-13-26(14-12-25)38-20-27(29-30(32)33-21-34-31(29)38)23-9-7-22(8-10-23)19-28(39)35-24-5-3-2-4-6-24/h2-10,20-21,25-26H,11-19H2,1H3,(H,35,39)(H2,32,33,34)