3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylpropanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylpropanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-propionamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H30N4O2S/c1-6-26-14-17(28-20-10-8-7-9-19(20)26)13-25(4)21(27)12-11-18-15(2)23-22(29-5)24-16(18)3/h7-10,17H,6,11-14H2,1-5H3/t17-/m1/s1