(2S)-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-propylpropanamide Traditional Name: (2S)-2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-N-propyl-propionamide Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CCC1=C(N=C(N=C1C)SC)C

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CCC1=C(N=C(N=C1C)SC)C

InChI

InChI=1S/C16H26N4O2S/c1-6-9-17-15(22)12(4)18-14(21)8-7-13-10(2)19-16(23-5)20-11(13)3/h12H,6-9H2,1-5H3,(H,17,22)(H,18,21)/t12-/m0/s1