ethyl 2-[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2)O)NC(=O)C

InChI

InChI=1S/C17H18N4O5S/c1-3-26-16(25)11-7-19-17(21-15(11)18)27-8-14(24)10-4-5-13(23)12(6-10)20-9(2)22/h4-7,23H,3,8H2,1-2H3,(H,20,22)(H2,18,19,21)