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

Systemtic Name: ethyl 2-[2-(3-acetamido-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(3-acetamido-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-(3-acetamido-2-methoxyphenyl)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-acetamido-2-methoxyphenyl)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(3-acetamido-2-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=C(C(=CC=C2)NC(=O)C)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(C(=CC=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)11-6-5-7-13(15(11)26-3)21-10(2)23/h5-8H,4,9H2,1-3H3,(H,21,23)(H2,19,20,22)