2-[[3-(2-azanylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(2-azanylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-methyl-amino]acetic acid CAS Name: 2-[[3-(2-amino-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-methylamino]acetic acid IUPAC Name: 2-[[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-methylamino]acetic acid Traditional Name: 2-[[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-methyl-amino]acetic acid Formula: C14H14N6O2 MolecularWeight: 298.29996

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N

Isomeric SMILES

CN(CC(=O)O)C1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N

InChI

InChI=1S/C14H14N6O2/c1-20(7-11(21)22)10-3-5-16-13-12(10)8(6-18-13)9-2-4-17-14(15)19-9/h2-6H,7H2,1H3,(H,16,18)(H,21,22)(H2,15,17,19)