methyl 2-[[5-cyano-2-[(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)amino]pyrimidin-4-yl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[5-cyano-2-[(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)amino]pyrimidin-4-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[5-cyano-2-[(2-methoxy-2-oxo-1-phenyl-ethyl)amino]pyrimidin-4-yl]amino]-2-phenyl-acetate CAS Name: 2-[[5-cyano-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-pyrimidinyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[5-cyano-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]pyrimidin-4-yl]amino]-2-phenylacetate Traditional Name: 2-[[5-cyano-2-[(2-keto-2-methoxy-1-phenyl-ethyl)amino]pyrimidin-4-yl]amino]-2-phenyl-acetic acid methyl ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC2=NC(=NC=C2C#N)NC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)NC2=NC(=NC=C2C#N)NC(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H21N5O4/c1-31-21(29)18(15-9-5-3-6-10-15)26-20-17(13-24)14-25-23(28-20)27-19(22(30)32-2)16-11-7-4-8-12-16/h3-12,14,18-19H,1-2H3,(H2,25,26,27,28)