methyl 2-[[4-(dimethylamino)pteridin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-(dimethylamino)pteridin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-(dimethylamino)pteridin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-(dimethylamino)-2-pteridinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(dimethylamino)pteridin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-(dimethylamino)pteridin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C17H17N7O5S MolecularWeight: 431.42578

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=NC=CN=C21)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(C)C1=NC(=NC2=NC=CN=C21)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C17H17N7O5S/c1-24(2)14-12-13(19-9-8-18-12)20-16(21-14)22-17(26)23-30(27,28)11-7-5-4-6-10(11)15(25)29-3/h4-9H,1-3H3,(H2,19,20,21,22,23,26)