tert-butyl 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)vinyl]piperidine-1-carboxylate CAS Name: 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]piperidine-1-carboxylate Traditional Name: 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)vinyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=C)C2=C3C=CNC3=NC=N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=C)C2=C3C=CNC3=NC=N2

InChI

InChI=1S/C18H24N4O2/c1-12(15-14-7-8-19-16(14)21-11-20-15)13-6-5-9-22(10-13)17(23)24-18(2,3)4/h7-8,11,13H,1,5-6,9-10H2,2-4H3,(H,19,20,21)