(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-6-chloranyl-7-methyl-4-oxidanylidene-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-6-chloranyl-7-methyl-4-oxidanylidene-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-amino-6-chloro-7-methyl-4-oxo-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 2-amino-6-chloro-7-methyl-4-oxo-3-[oxo-(phenylsulfamoylamino)methyl]-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-amino-6-chloro-7-methyl-4-oxo-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 2-amino-6-chloro-4-keto-7-methyl-3-(phenylsulfamoylcarbamoyl)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C31H42ClN5O6S MolecularWeight: 648.21308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=C(C(=O)N3C(=C2C)Cl)C(=O)NS(=O)(=O)NC4=CC=CC=C4)N)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=C(C(=O)N3C(=C2C)Cl)C(=O)NS(=O)(=O)NC4=CC=CC=C4)N)C(C)(C)C

InChI

InChI=1S/C31H42ClN5O6S/c1-16-14-19(30(3,4)5)23(20(15-16)31(6,7)8)43-29(40)21-17(2)24(32)37-26(21)34-25(33)22(28(37)39)27(38)36-44(41,42)35-18-12-10-9-11-13-18/h9-13,16,19-20,23,34-35H,14-15,33H2,1-8H3,(H,36,38)