propan-2-yl 4-[4-(2-fluoranyl-4-methylsulfonyl-phenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-(2-fluoranyl-4-methylsulfonyl-phenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[4-(2-fluoro-4-methylsulfonyl-phenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-fluoro-4-methylsulfonylphenoxy)-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-fluoro-4-mesyl-phenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid isopropyl ester Formula: C22H25FN4O5S MolecularWeight: 476.521103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)N2C=CC3=C2N=CN=C3OC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)N2C=CC3=C2N=CN=C3OC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C22H25FN4O5S/c1-14(2)31-22(28)26-9-6-15(7-10-26)27-11-8-17-20(27)24-13-25-21(17)32-19-5-4-16(12-18(19)23)33(3,29)30/h4-5,8,11-15H,6-7,9-10H2,1-3H3