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

Systemtic Name: 2-[[4-[(4-carboxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-[(4-carboxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-[(4-carboxyphenyl)methylamino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-[(4-carboxyphenyl)methylamino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-[(4-carboxybenzyl)amino]-6-piperazino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)C(=O)O)N4CCNCC4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)C(=O)O)N4CCNCC4)C(=O)O

InChI

InChI=1S/C21H23N7O4S/c1-12-17(19(31)32)33-21(24-12)27-20-25-15(10-16(26-20)28-8-6-22-7-9-28)23-11-13-2-4-14(5-3-13)18(29)30/h2-5,10,22H,6-9,11H2,1H3,(H,29,30)(H,31,32)(H2,23,24,25,26,27)