[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)COC(=O)CCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)COC(=O)CCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H21N5O4S/c1-12-9-13(2)22-20(21-12)25-17(10-14(3)24-25)23-18(27)11-29-19(28)7-6-15(26)16-5-4-8-30-16/h4-5,8-10H,6-7,11H2,1-3H3,(H,23,27)