methyl (E)-3-azanyl-2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]but-2-enoate

Systemtic Name: methyl (E)-3-azanyl-2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]but-2-enoate Openeye Name: methyl (E)-3-amino-2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]but-2-enoate CAS Name: (E)-3-amino-2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]but-2-enoate Traditional Name: (E)-3-amino-2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]but-2-enoic acid methyl ester Formula: C12H17N5O5S MolecularWeight: 343.35888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C(=C(C)N)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)/C(=C(\C)/N)/C(=O)OC)C

InChI

InChI=1S/C12H17N5O5S/c1-6-5-7(2)15-11(14-6)16-12(19)17-23(20,21)9(8(3)13)10(18)22-4/h5H,13H2,1-4H3,(H2,14,15,16,17,19)/b9-8+