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

Systemtic Name: 4-methyl-2-[[4-(3-oxidanylidenepiperazin-1-yl)-6-(4-oxidanylpiperidin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-hydroxy-1-piperidyl)-6-(3-oxopiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-hydroxy-1-piperidinyl)-6-(3-oxo-1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-hydroxypiperidin-1-yl)-6-(3-oxopiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-hydroxypiperidino)-6-(3-ketopiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C18H23N7O4S MolecularWeight: 433.48472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCC(CC3)O)N4CCNC(=O)C4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCC(CC3)O)N4CCNC(=O)C4)C(=O)O

InChI

InChI=1S/C18H23N7O4S/c1-10-15(16(28)29)30-18(20-10)23-17-21-12(24-5-2-11(26)3-6-24)8-13(22-17)25-7-4-19-14(27)9-25/h8,11,26H,2-7,9H2,1H3,(H,19,27)(H,28,29)(H,20,21,22,23)