4-[4-azanyl-5-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-azanyl-5-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-amino-5-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-amino-5-(3-fluorophenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-amino-5-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-amino-5-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Formula: C18H18FN5O2 MolecularWeight: 355.366223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)F)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)F)C(=O)O

InChI

InChI=1S/C18H18FN5O2/c19-12-3-1-2-11(8-12)14-9-24(17-15(14)16(20)21-10-22-17)13-4-6-23(7-5-13)18(25)26/h1-3,8-10,13H,4-7H2,(H,25,26)(H2,20,21,22)