5-(2-azanylpyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxylic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O

InChI

InChI=1S/C17H16N4O2/c1-9-4-3-5-11(10(9)2)15-12(16(22)23)8-14(20-15)13-6-7-19-17(18)21-13/h3-8,20H,1-2H3,(H,22,23)(H2,18,19,21)