methyl (Z)-3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylamino]but-2-enoate

Systemtic Name: methyl (Z)-3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylamino]but-2-enoate Openeye Name: methyl (Z)-3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylamino]but-2-enoate CAS Name: (Z)-3-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoylamino]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylamino]but-2-enoate Traditional Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylamino]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)NC(=CC(=O)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O5S/c1-7-5-8(2)14-11(13-7)15-12(19)17-23(20,21)16-9(3)6-10(18)22-4/h5-6,16H,1-4H3,(H2,13,14,15,17,19)/b9-6-