2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propanoic acid

Systemtic Name: 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propanoic acid Openeye Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propanoic acid CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propanoic acid Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propionic acid Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c1-13(21(26)27)25-11-17(18-19(22)23-12-24-20(18)25)14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)(H2,22,23,24)