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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[[2-(phenylcarbamoyl)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[anilino(oxo)methyl]anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[2-(phenylcarbamoyl)anilino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O4S/c1-2-31-21(30)16-12-24-22(27-19(16)23)32-13-18(28)26-17-11-7-6-10-15(17)20(29)25-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,25,29)(H,26,28)(H2,23,24,27)