methyl 2-[[4-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-methyl-6-(1,2,4-triazol-1-yl)-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C16H15N7O5S MolecularWeight: 417.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N3C=NC=N3

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N3C=NC=N3

InChI

InChI=1S/C16H15N7O5S/c1-10-7-13(23-9-17-8-18-23)20-15(19-10)21-16(25)22-29(26,27)12-6-4-3-5-11(12)14(24)28-2/h3-9H,1-2H3,(H2,19,20,21,22,25)