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

Systemtic Name: 2-[[4-(4-carboxyphenyl)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-carboxyphenyl)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-carboxyphenyl)-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-carboxyphenyl)-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-carboxyphenyl)-6-piperazino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCNCC3)C4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCNCC3)C4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20N6O4S/c1-11-16(18(29)30)31-20(22-11)25-19-23-14(12-2-4-13(5-3-12)17(27)28)10-15(24-19)26-8-6-21-7-9-26/h2-5,10,21H,6-9H2,1H3,(H,27,28)(H,29,30)(H,22,23,24,25)