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

Systemtic Name: methyl 2-[(4-azanylpyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-aminopyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4-amino-2-pyrido[2,3-d]pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-aminopyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4-aminopyrido[2,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C16H14N6O5S MolecularWeight: 402.38456

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O5S/c1-27-14(23)9-5-2-3-7-11(9)28(25,26)22-16(24)21-15-19-12(17)10-6-4-8-18-13(10)20-15/h2-8H,1H3,(H4,17,18,19,20,21,22,24)