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

Systemtic Name: ethyl 1-methyl-5-[[(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanoyl]amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[[(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanoyl]amino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[(2S)-1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[[(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanoyl]amino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[[(2S)-2-[(6-phenylpyrimidin-4-yl)thio]butanoyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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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

Isomeric SMILES

CC[C@@H](C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S/c1-4-17(20(27)25-19-15(12-24-26(19)3)21(28)29-5-2)30-18-11-16(22-13-23-18)14-9-7-6-8-10-14/h6-13,17H,4-5H2,1-3H3,(H,25,27)/t17-/m0/s1