ethyl 4-[(3-butylsulfonyloxyphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-butylsulfonyloxyphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-butylsulfonyloxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-butylsulfonyloxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-butylsulfonyloxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-butylsulfonyloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC(=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC(=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C18H23N3O5S2/c1-4-6-10-28(23,24)26-14-9-7-8-13(11-14)20-16-15(17(22)25-5-2)12-19-18(21-16)27-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,20,21)