4-[4-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoic acid

Systemtic Name: 4-[4-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoic acid Openeye Name: 4-[4-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoic acid CAS Name: 4-[4-(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)phenoxy]benzoic acid IUPAC Name: 4-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoic acid Traditional Name: 4-[4-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoic acid Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H20N4O3/c1-13(2)26-11-18(19-20(23)24-12-25-21(19)26)14-3-7-16(8-4-14)29-17-9-5-15(6-10-17)22(27)28/h3-13H,1-2H3,(H,27,28)(H2,23,24,25)