4-azanyl-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; ethyl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: 4-azanyl-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; ethyl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; ethyl 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one; 2-[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one; 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid ethyl ester Formula: C23H29ClN8O7S2 MolecularWeight: 629.10876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC.CC(C)(C)C1=NN=C(N(C1=O)N)SC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC.CC(C)(C)C1=NN=C(N(C1=O)N)SC

InChI

InChI=1S/C15H15ClN4O6S.C8H14N4OS/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2;1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22);9H2,1-4H3