methyl 2-[(4-methoxypteridin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(4-methoxypteridin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-methoxypteridin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4-methoxy-2-pteridinyl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxypteridin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4-methoxypteridin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C16H14N6O6S MolecularWeight: 418.38396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=NC=CN=C21)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=NC(=NC2=NC=CN=C21)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C16H14N6O6S/c1-27-13-11-12(18-8-7-17-11)19-15(20-13)21-16(24)22-29(25,26)10-6-4-3-5-9(10)14(23)28-2/h3-8H,1-2H3,(H2,18,19,20,21,22,24)