4-[5-methyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-methyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[5-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-(4-sulfamoylanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[5-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[5-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H15N5O4S/c1-9-7-19-16(20-11-2-4-12(5-3-11)26(17,24)25)21-14(9)10-6-13(15(22)23)18-8-10/h2-8,18H,1H3,(H,22,23)(H2,17,24,25)(H,19,20,21)