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

Systemtic Name: 2-[[4-(4-carboxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-carboxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-carboxyphenyl)-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-carboxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-carboxyphenyl)-6-(4-methylpiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C21H22N6O4S/c1-12-17(19(30)31)32-21(22-12)25-20-23-15(13-3-5-14(6-4-13)18(28)29)11-16(24-20)27-9-7-26(2)8-10-27/h3-6,11H,7-10H2,1-2H3,(H,28,29)(H,30,31)(H,22,23,24,25)