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

Systemtic Name: 2-[[4-[(3-bromophenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-[(3-bromophenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-[(3-bromophenyl)methylamino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-[(3-bromophenyl)methylamino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-[(3-bromobenzyl)amino]-6-piperazino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H22BrN7O2S MolecularWeight: 504.40338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN7O2S/c1-12-17(18(29)30)31-20(24-12)27-19-25-15(23-11-13-3-2-4-14(21)9-13)10-16(26-19)28-7-5-22-6-8-28/h2-4,9-10,22H,5-8,11H2,1H3,(H,29,30)(H2,23,24,25,26,27)