3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-(2-pyrimidinylamino)propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-(2-pyrimidylamino)propionic acid Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=NC=CC=N3

InChI

InChI=1S/C15H14N4O2/c20-14(21)13(19-15-16-6-3-7-17-15)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,13,18H,8H2,(H,20,21)(H,16,17,19)