4-(5-ethyl-2-phenylazanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(5-ethyl-2-phenylazanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2-anilino-5-ethyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2-anilino-5-ethyl-4-pyrimidinyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-anilino-5-ethylpyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2-anilino-5-ethyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CCC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=CC=C3

InChI

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