ethyl 4-[5-(hydroxymethyl)-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[5-(hydroxymethyl)-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[5-(hydroxymethyl)-2-(4-sulfamoylanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[5-(hydroxymethyl)-2-(4-sulfamoylanilino)-4-pyrimidinyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(hydroxymethyl)-2-(4-sulfamoylanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[5-methylol-2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2CO)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2CO)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H23N5O5S/c1-4-30-19(27)17-11(2)16(12(3)23-17)18-13(10-26)9-22-20(25-18)24-14-5-7-15(8-6-14)31(21,28)29/h5-9,23,26H,4,10H2,1-3H3,(H2,21,28,29)(H,22,24,25)