tert-butyl 3-[[5-aminocarbonyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[5-aminocarbonyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[5-carbamoyl-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]azetidine-1-carboxylate CAS Name: 3-[[5-carbamoyl-2-(3-sulfamoylanilino)-4-pyrimidinyl]amino]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-carbamoyl-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]azetidine-1-carboxylate Traditional Name: 3-[[5-carbamoyl-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]azetidine-1-carboxylic acid tert-butyl ester Formula: C19H25N7O5S MolecularWeight: 463.5107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)NC2=NC(=NC=C2C(=O)N)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)NC2=NC(=NC=C2C(=O)N)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C19H25N7O5S/c1-19(2,3)31-18(28)26-9-12(10-26)23-16-14(15(20)27)8-22-17(25-16)24-11-5-4-6-13(7-11)32(21,29)30/h4-8,12H,9-10H2,1-3H3,(H2,20,27)(H2,21,29,30)(H2,22,23,24,25)