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

Systemtic Name: 2-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-6-(3-oxidanylidenepiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(2-ethoxy-2-oxo-ethyl)-6-(3-oxopiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(2-ethoxy-2-oxoethyl)-6-(3-oxo-1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(2-ethoxy-2-oxoethyl)-6-(3-oxopiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(2-ethoxy-2-keto-ethyl)-6-(3-ketopiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N6O5S MolecularWeight: 420.4429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=NC(=N1)NC2=NC(=C(S2)C(=O)O)C)N3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)CC1=CC(=NC(=N1)NC2=NC(=C(S2)C(=O)O)C)N3CCNC(=O)C3

InChI

InChI=1S/C17H20N6O5S/c1-3-28-13(25)7-10-6-11(23-5-4-18-12(24)8-23)21-16(20-10)22-17-19-9(2)14(29-17)15(26)27/h6H,3-5,7-8H2,1-2H3,(H,18,24)(H,26,27)(H,19,20,21,22)