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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S/c1-2-28-20(27)17-12-23-21(25-19(17)22)30-13-18(26)24-14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,24,26)(H2,22,23,25)