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

Systemtic Name: 4-methyl-2-[[4-morpholin-4-yl-6-(4-oxidanylpiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-hydroxypiperazin-1-yl)-6-morpholino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-hydroxy-1-piperazinyl)-6-(4-morpholinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-hydroxypiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-hydroxypiperazino)-6-morpholino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C17H23N7O4S MolecularWeight: 421.47402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCOCC3)N4CCN(CC4)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCOCC3)N4CCN(CC4)O)C(=O)O

InChI

InChI=1S/C17H23N7O4S/c1-11-14(15(25)26)29-17(18-11)21-16-19-12(22-2-4-24(27)5-3-22)10-13(20-16)23-6-8-28-9-7-23/h10,27H,2-9H2,1H3,(H,25,26)(H,18,19,20,21)