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

Systemtic Name: ethyl 2-[2-(4-acetamido-3-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(4-acetamido-3-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-(4-acetamido-3-methoxyphenyl)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-acetamido-3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(4-acetamido-3-methoxy-phenyl)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-4-27-17(25)12-8-20-18(22-16(12)19)28-9-14(24)11-5-6-13(21-10(2)23)15(7-11)26-3/h5-8H,4,9H2,1-3H3,(H,21,23)(H2,19,20,22)