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

Systemtic Name: 2-[[4-(4-methoxyphenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-methoxyphenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-methoxyphenoxy)-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-methoxyphenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-methoxyphenoxy)-6-(4-methylpiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H24N6O4S MolecularWeight: 456.51806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)OC3=CC=C(C=C3)OC)N4CCN(CC4)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)OC3=CC=C(C=C3)OC)N4CCN(CC4)C)C(=O)O

InChI

InChI=1S/C21H24N6O4S/c1-13-18(19(28)29)32-21(22-13)25-20-23-16(27-10-8-26(2)9-11-27)12-17(24-20)31-15-6-4-14(30-3)5-7-15/h4-7,12H,8-11H2,1-3H3,(H,28,29)(H,22,23,24,25)