methyl 2-[(4-methylsulfanylpyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(4-methylsulfanylpyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-methylsulfanylpyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-(methylthio)-2-pyrido[2,3-d]pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfanylpyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-(methylthio)pyrido[2,3-d]pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C17H15N5O5S2 MolecularWeight: 433.4615

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC3=C(C=CC=N3)C(=N2)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC3=C(C=CC=N3)C(=N2)SC

InChI

InChI=1S/C17H15N5O5S2/c1-27-15(23)10-6-3-4-8-12(10)29(25,26)22-17(24)21-16-19-13-11(7-5-9-18-13)14(20-16)28-2/h3-9H,1-2H3,(H2,18,19,20,21,22,24)