ethyl 1-methyl-5-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylbutanoyl]amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylbutanoyl]amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylbutanoyl]amino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[(2S)-2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylbutanoyl]amino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[[(2S)-2-[(6-methylpyrimidin-4-yl)thio]butanoyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC=NC(=C2)C

InChI

InChI=1S/C16H21N5O3S/c1-5-12(25-13-7-10(3)17-9-18-13)15(22)20-14-11(8-19-21(14)4)16(23)24-6-2/h7-9,12H,5-6H2,1-4H3,(H,20,22)/t12-/m0/s1