3-(2-azanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-azanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(2-amino-4-keto-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C14H19N5O5 MolecularWeight: 337.33116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C=CC2=C1NC(=NC2=O)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CN1C=CC2=C1NC(=NC2=O)N)C(=O)O

InChI

InChI=1S/C14H19N5O5/c1-14(2,3)24-13(23)16-8(11(21)22)6-19-5-4-7-9(19)17-12(15)18-10(7)20/h4-5,8H,6H2,1-3H3,(H,16,23)(H,21,22)(H3,15,17,18,20)