ethyl 1-methyl-5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N5O3S/c1-5-18(21(28)26-20-16(13-23-27(20)4)22(29)30-6-2)31-19-12-17(24-14(3)25-19)15-10-8-7-9-11-15/h7-13,18H,5-6H2,1-4H3,(H,26,28)