4-[2-acetamido-5-(methylcarbamoylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-acetamido-5-(methylcarbamoylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-acetamido-5-(methylcarbamoylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-acetamido-5-(methylcarbamoylamino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-acetamido-5-(methylcarbamoylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-acetamido-5-(methylcarbamoylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)O)NC(=O)NC

Isomeric SMILES

CC(=O)NC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)O)NC(=O)NC

InChI

InChI=1S/C13H14N6O4/c1-6(20)17-12-16-5-9(18-13(23)14-2)10(19-12)7-3-8(11(21)22)15-4-7/h3-5,15H,1-2H3,(H,21,22)(H2,14,18,23)(H,16,17,19,20)