2-[[4-(4-carboxyphenyl)-6-morpholin-4-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[4-(4-carboxyphenyl)-6-morpholin-4-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-carboxyphenyl)-6-morpholino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-carboxyphenyl)-6-(4-morpholinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-carboxyphenyl)-6-morpholin-4-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-carboxyphenyl)-6-morpholino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCOCC3)C4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCOCC3)C4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C20H19N5O5S/c1-11-16(18(28)29)31-20(21-11)24-19-22-14(12-2-4-13(5-3-12)17(26)27)10-15(23-19)25-6-8-30-9-7-25/h2-5,10H,6-9H2,1H3,(H,26,27)(H,28,29)(H,21,22,23,24)