ethyl 4-[[(2-imidazol-1-yl-5-thiophen-2-yl-pyrimidin-4-yl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(2-imidazol-1-yl-5-thiophen-2-yl-pyrimidin-4-yl)amino]methyl]benzoate Openeye Name: ethyl 4-[[[2-imidazol-1-yl-5-(2-thienyl)pyrimidin-4-yl]amino]methyl]benzoate CAS Name: 4-[[[2-(1-imidazolyl)-5-thiophen-2-yl-4-pyrimidinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[[2-imidazol-1-yl-5-(2-thienyl)pyrimidin-4-yl]amino]methyl]benzoic acid ethyl ester Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2=NC(=NC=C2C3=CC=CS3)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2=NC(=NC=C2C3=CC=CS3)N4C=CN=C4

InChI

InChI=1S/C21H19N5O2S/c1-2-28-20(27)16-7-5-15(6-8-16)12-23-19-17(18-4-3-11-29-18)13-24-21(25-19)26-10-9-22-14-26/h3-11,13-14H,2,12H2,1H3,(H,23,24,25)