methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenoxy]methyl]benzoate CAS Name: 4-[[3-[[4-(2-thiazolyl)-2-pyrimidinyl]amino]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate Traditional Name: 4-[[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenoxy]methyl]benzoic acid methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=NC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=NC=CS4

InChI

InChI=1S/C22H18N4O3S/c1-28-21(27)16-7-5-15(6-8-16)14-29-18-4-2-3-17(13-18)25-22-24-10-9-19(26-22)20-23-11-12-30-20/h2-13H,14H2,1H3,(H,24,25,26)