methyl 2-[[5-cyano-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[5-cyano-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[5-cyano-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-2-phenyl-acetate CAS Name: 2-[[5-cyano-2-(3-hydroxyanilino)-4-pyrimidinyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[5-cyano-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-2-phenylacetate Traditional Name: 2-[[5-cyano-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-2-phenyl-acetic acid methyl ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC2=NC(=NC=C2C#N)NC3=CC(=CC=C3)O

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)NC2=NC(=NC=C2C#N)NC3=CC(=CC=C3)O

InChI

InChI=1S/C20H17N5O3/c1-28-19(27)17(13-6-3-2-4-7-13)24-18-14(11-21)12-22-20(25-18)23-15-8-5-9-16(26)10-15/h2-10,12,17,26H,1H3,(H2,22,23,24,25)