4-[5-(hydroxymethyl)-2-phenylazanyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-(hydroxymethyl)-2-phenylazanyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-anilino-5-(hydroxymethyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-anilino-5-(hydroxymethyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-anilino-5-(hydroxymethyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2-anilino-5-methylol-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)CO

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)CO

InChI

InChI=1S/C16H14N4O3/c21-9-11-8-18-16(19-12-4-2-1-3-5-12)20-14(11)10-6-13(15(22)23)17-7-10/h1-8,17,21H,9H2,(H,22,23)(H,18,19,20)