[4-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl] benzoate

Systemtic Name: [4-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl] benzoate Openeye Name: [4-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl] benzoate CAS Name: benzoic acid [4-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl] ester IUPAC Name: [4-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl] benzoate Traditional Name: benzoic acid [4-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl] ester Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=NC(=N2)C3=CC=CC=C3)NC4CCC(CC4)OC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(NC2=C1C(=NC(=N2)C3=CC=CC=C3)NC4CCC(CC4)OC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H28N4O2/c1-17-18(2)28-25-23(17)26(31-24(30-25)19-9-5-3-6-10-19)29-21-13-15-22(16-14-21)33-27(32)20-11-7-4-8-12-20/h3-12,21-22H,13-16H2,1-2H3,(H2,28,29,30,31)