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

Systemtic Name: 2-[[4-(4-azanylpiperidin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-amino-1-piperidyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-amino-1-piperidinyl)-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-aminopiperidin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-aminopiperidino)-6-(4-methylpiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C19H28N8O2S MolecularWeight: 432.54302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCN(CC3)C)N4CCC(CC4)N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCN(CC3)C)N4CCC(CC4)N)C(=O)O

InChI

InChI=1S/C19H28N8O2S/c1-12-16(17(28)29)30-19(21-12)24-18-22-14(26-5-3-13(20)4-6-26)11-15(23-18)27-9-7-25(2)8-10-27/h11,13H,3-10,20H2,1-2H3,(H,28,29)(H,21,22,23,24)