N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)acetamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H23N5O2S/c1-11-13(19(26)21-12(2)20-11)10-17(25)22-16(8-9-27-3)18-23-14-6-4-5-7-15(14)24-18/h4-7,16H,8-10H2,1-3H3,(H,22,25)(H,23,24)(H,20,21,26)/t16-/m0/s1