but-3-ynyl 4-[4-(2-methylpyridin-3-yl)oxypyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

Systemtic Name: but-3-ynyl 4-[4-(2-methylpyridin-3-yl)oxypyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Openeye Name: but-3-ynyl 4-[4-[(2-methyl-3-pyridyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-methyl-3-pyridinyl)oxy]-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid but-3-ynyl ester IUPAC Name: but-3-ynyl 4-[4-(2-methylpyridin-3-yl)oxypyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-methyl-3-pyridyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid but-3-ynyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)OC2=NC=NC3=C2C=CN3C4CCN(CC4)C(=O)OCCC#C

Isomeric SMILES

CC1=C(C=CC=N1)OC2=NC=NC3=C2C=CN3C4CCN(CC4)C(=O)OCCC#C

InChI

InChI=1S/C22H23N5O3/c1-3-4-14-29-22(28)26-11-7-17(8-12-26)27-13-9-18-20(27)24-15-25-21(18)30-19-6-5-10-23-16(19)2/h1,5-6,9-10,13,15,17H,4,7-8,11-12,14H2,2H3