S-[2-methyl-3-oxidanylidene-3-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpyrrolidin-1-yl]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-oxidanylidene-3-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[2-methyl-3-oxo-3-[(2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-oxo-3-[(2S)-2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-pyrrolidinyl]propyl] ester IUPAC Name: S-[2-methyl-3-oxo-3-[(2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-2-methyl-3-[(2S)-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]pyrrolidino]propyl] ester Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H27N5O3S/c1-14(13-28-15(2)25)17(26)24-8-3-5-16(24)18(27)22-9-11-23(12-10-22)19-20-6-4-7-21-19/h4,6-7,14,16H,3,5,8-13H2,1-2H3/t14?,16-/m0/s1