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

Systemtic Name: 2-[[4-(3-aminocarbonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(3-carbamoylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(3-carbamoyl-1-piperazinyl)-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(3-carbamoylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(3-carbamoylpiperazino)-6-(4-methylpiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C19H27N9O3S MolecularWeight: 461.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCNC(C3)C(=O)N)N4CCN(CC4)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCNC(C3)C(=O)N)N4CCN(CC4)C)C(=O)O

InChI

InChI=1S/C19H27N9O3S/c1-11-15(17(30)31)32-19(22-11)25-18-23-13(27-7-5-26(2)6-8-27)9-14(24-18)28-4-3-21-12(10-28)16(20)29/h9,12,21H,3-8,10H2,1-2H3,(H2,20,29)(H,30,31)(H,22,23,24,25)