methyl 4-[5-cyano-2-[[4-(2-hydroxyethyl)phenyl]amino]pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[5-cyano-2-[[4-(2-hydroxyethyl)phenyl]amino]pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[5-cyano-2-[4-(2-hydroxyethyl)anilino]pyrimidin-4-yl]benzoate CAS Name: 4-[5-cyano-2-[4-(2-hydroxyethyl)anilino]-4-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-cyano-2-[4-(2-hydroxyethyl)anilino]pyrimidin-4-yl]benzoate Traditional Name: 4-[5-cyano-2-[4-(2-hydroxyethyl)anilino]pyrimidin-4-yl]benzoic acid methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCO

InChI

InChI=1S/C21H18N4O3/c1-28-20(27)16-6-4-15(5-7-16)19-17(12-22)13-23-21(25-19)24-18-8-2-14(3-9-18)10-11-26/h2-9,13,26H,10-11H2,1H3,(H,23,24,25)