3-(4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid

Systemtic Name: 3-(4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid Openeye Name: 3-[4-(1-piperidyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzoic acid CAS Name: 3-[4-(1-piperidinyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzoic acid IUPAC Name: 3-(4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid Traditional Name: 3-(4-piperidino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2C(=CN3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2C(=CN3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C18H18N4O2/c23-18(24)13-6-4-5-12(9-13)14-10-19-16-15(14)17(21-11-20-16)22-7-2-1-3-8-22/h4-6,9-11H,1-3,7-8H2,(H,23,24)(H,19,20,21)