3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-[(2S)-2-phenylbutyl]propanamide

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-[(2S)-2-phenylbutyl]propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-[(2S)-2-phenylbutyl]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCC1=C(N=C(N=C1C)SCC(=O)N)C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)CCC1=C(N=C(N=C1C)SCC(=O)N)C)C2=CC=CC=C2

InChI

InChI=1S/C21H28N4O2S/c1-4-16(17-8-6-5-7-9-17)12-23-20(27)11-10-18-14(2)24-21(25-15(18)3)28-13-19(22)26/h5-9,16H,4,10-13H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m1/s1