diethyl 2-azanyl-6-(hydroxymethyl)-4-oxidanylidene-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-7,8-dicarboxylate

Systemtic Name: diethyl 2-azanyl-6-(hydroxymethyl)-4-oxidanylidene-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-7,8-dicarboxylate Openeye Name: diethyl 2-amino-6-(hydroxymethyl)-4-oxo-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-7,8-dicarboxylate CAS Name: 2-amino-6-(hydroxymethyl)-4-oxo-3-[oxo-(phenylsulfamoylamino)methyl]-1H-pyrrolo[1,2-a]pyrimidine-7,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-amino-6-(hydroxymethyl)-4-oxo-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-7,8-dicarboxylate Traditional Name: 2-amino-4-keto-6-methylol-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-7,8-dicarboxylic acid diethyl ester Formula: C21H23N5O9S MolecularWeight: 521.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C1C(=O)OCC)NC(=C(C2=O)C(=O)NS(=O)(=O)NC3=CC=CC=C3)N)CO

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C1C(=O)OCC)NC(=C(C2=O)C(=O)NS(=O)(=O)NC3=CC=CC=C3)N)CO

InChI

InChI=1S/C21H23N5O9S/c1-3-34-20(30)13-12(10-27)26-17(14(13)21(31)35-4-2)23-16(22)15(19(26)29)18(28)25-36(32,33)24-11-8-6-5-7-9-11/h5-9,23-24,27H,3-4,10,22H2,1-2H3,(H,25,28)