1-[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]isonipecotic acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N3CCC(CC3)C(=O)O)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N3CCC(CC3)C(=O)O)CC4=CC=CO4)C

InChI

InChI=1S/C19H22N4O3/c1-12-13(2)23(10-15-4-3-9-26-15)18-16(12)17(20-11-21-18)22-7-5-14(6-8-22)19(24)25/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,24,25)