ethyl 2-[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(4-acetamidophenyl)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-(4-acetamidophenyl)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-acetamidophenyl)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(4-acetamidophenyl)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-3-25-16(24)13-8-19-17(21-15(13)18)26-9-14(23)11-4-6-12(7-5-11)20-10(2)22/h4-8H,3,9H2,1-2H3,(H,20,22)(H2,18,19,21)