ethyl 2-[6-azanyl-4-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethyl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-4-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-4-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-4-oxo-1-[2-(4-sulfamoylphenyl)ethyl]-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-4-keto-1-[2-(4-sulfamoylphenyl)ethyl]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C16H20N4O5S2 MolecularWeight: 412.4838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CC=C(C=C2)S(=O)(=O)N)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CC=C(C=C2)S(=O)(=O)N)N

InChI

InChI=1S/C16H20N4O5S2/c1-2-25-15(22)10-26-16-19-14(21)9-13(17)20(16)8-7-11-3-5-12(6-4-11)27(18,23)24/h3-6,9H,2,7-8,10,17H2,1H3,(H2,18,23,24)