(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-[(4-oxidanylidene-1H-pyrimidin-6-yl)methyl]propanamide

Systemtic Name: (2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-[(4-oxidanylidene-1H-pyrimidin-6-yl)methyl]propanamide Openeye Name: (2S)-2-[(4-methyl-2-quinolyl)sulfanyl]-N-[(4-oxo-1H-pyrimidin-6-yl)methyl]propanamide CAS Name: (2S)-2-[(4-methyl-2-quinolinyl)thio]-N-[(4-oxo-1H-pyrimidin-6-yl)methyl]propanamide IUPAC Name: (2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-[(4-oxo-1H-pyrimidin-6-yl)methyl]propanamide Traditional Name: (2S)-N-[(4-keto-1H-pyrimidin-6-yl)methyl]-2-[(4-methyl-2-quinolyl)thio]propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NCC3=CC(=O)N=CN3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)S[C@@H](C)C(=O)NCC3=CC(=O)N=CN3

InChI

InChI=1S/C18H18N4O2S/c1-11-7-17(22-15-6-4-3-5-14(11)15)25-12(2)18(24)19-9-13-8-16(23)21-10-20-13/h3-8,10,12H,9H2,1-2H3,(H,19,24)(H,20,21,23)/t12-/m0/s1