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

Systemtic Name: 2-[[4-[(2,6-dimethylphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-[(2,6-dimethylphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-[(2,6-dimethylphenyl)methylamino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-[(2,6-dimethylphenyl)methylamino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-[(2,6-dimethylbenzyl)amino]-6-piperazino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CNC2=NC(=NC(=C2)N3CCNCC3)NC4=NC(=C(S4)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)CNC2=NC(=NC(=C2)N3CCNCC3)NC4=NC(=C(S4)C(=O)O)C

InChI

InChI=1S/C22H27N7O2S/c1-13-5-4-6-14(2)16(13)12-24-17-11-18(29-9-7-23-8-10-29)27-21(26-17)28-22-25-15(3)19(32-22)20(30)31/h4-6,11,23H,7-10,12H2,1-3H3,(H,30,31)(H2,24,25,26,27,28)