3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]propionamide Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C19H22N4O3S/c1-10-14(11(2)21-19(20-10)27-4)6-8-17(24)22-13-5-7-16-15(9-13)23-18(25)12(3)26-16/h5,7,9,12H,6,8H2,1-4H3,(H,22,24)(H,23,25)/t12-/m1/s1