5-(2-azanylpyrimidin-4-yl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-[(tert-butoxycarbonylamino)methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-4-pyrimidinyl)-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-[(tert-butoxycarbonylamino)methyl]-1H-pyrrole-3-carboxylic acid Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=C(N1)C2=NC(=NC=C2)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=C(N1)C2=NC(=NC=C2)N)C(=O)O

InChI

InChI=1S/C15H19N5O4/c1-15(2,3)24-14(23)18-7-11-8(12(21)22)6-10(19-11)9-4-5-17-13(16)20-9/h4-6,19H,7H2,1-3H3,(H,18,23)(H,21,22)(H2,16,17,20)